N-[3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;5-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile

C98H100N36O4S6 — CID 160515168

About N-[3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;5-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile

N-[3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;5-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile (PubChem CID 160515168) has the molecular formula C98H100N36O4S6 and a molecular weight of 2038.53 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;5-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: N-[3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;5-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile
• PubChem CID: 160515168
• Molecular Formula: C98H100N36O4S6
• Molecular Weight: 2038.53 g/mol
• Exact Mass: 2036.71
• IUPAC Name: N-[3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;5-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile
• SMILES: Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4ccc(C#N)nc4)cnn23)sn1.Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4ccoc4)cnn23)sn1.Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4coc(C=NO)c4)cnn23)sn1.Cc1cc(Nc2cc(SC3CCNC3)nc3c(-c4cnn(C)c4)cnn23)sn1.[C-]#[N+]c1cc(-c2cnn3c(Nc4cc(C)ns4)cc(C4CCCNC4)nc23)co1
• InChI: InChI=1S/C21H20N8S.C20H21N7O2S.C20H19N7OS.C19H20N6OS.C18H20N8S2/c1-13-7-20(30-28-13)27-19-8-18(15-3-2-6-23-10-15)26-21-17(12-25-29(19)21)14-4-5-16(9-22)24-11-14;1-12-5-19(30-26-12)25-18-7-17(13-3-2-4-21-8-13)24-20-16(10-22-27(18)20)14-6-15(9-23-28)29-11-14;1-12-6-19(29-26-12)25-17-8-16(13-4-3-5-22-9-13)24-20-15(10-23-27(17)20)14-7-18(21-2)28-11-14;1-12-7-18(27-24-12)23-17-8-16(13-3-2-5-20-9-13)22-19-15(10-21-25(17)19)14-4-6-26-11-14;1-11-5-17(28-24-11)22-15-6-16(27-13-3-4-19-8-13)23-18-14(9-21-26(15)18)12-7-20-25(2)10-12/h4-5,7-8,11-12,15,23,27H,2-3,6,10H2,1H3;5-7,9-11,13,21,25,28H,2-4,8H2,1H3;6-8,10-11,13,22,25H,3-5,9H2,1H3;4,6-8,10-11,13,20,23H,2-3,5,9H2,1H3;5-7,9-10,13,19,22H,3-4,8H2,1-2H3
• InChIKey: QTOCFPFPNKEDKP-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 466.57 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 45
• Rotatable Bonds: 22
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2038.53
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;5-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile?

The IUPAC name of N-[3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;5-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile (CID 160515168) is N-[3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;5-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile.

What is the SMILES notation for N-[3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;5-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile?

The canonical SMILES for N-[3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;5-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile is Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4ccc(C#N)nc4)cnn23)sn1.Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4ccoc4)cnn23)sn1.Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4coc(C=NO)c4)cnn23)sn1.Cc1cc(Nc2cc(SC3CCNC3)nc3c(-c4cnn(C)c4)cnn23)sn1.[C-]#[N+]c1cc(-c2cnn3c(Nc4cc(C)ns4)cc(C4CCCNC4)nc23)co1.

What is the InChIKey of N-[3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;5-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile?

The InChIKey is QTOCFPFPNKEDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8S.C20H21N7O2S.C20H19N7OS.C19H20N6OS.C18H20N8S2/c1-13-7-20(30-28-13)27-19-8-18(15-3-2-6-23-10-15)26-21-17(12-25-29(19)21)14-4-5-16(9-22)24-11-14;1-12-5-19(30-26-12)25-18-7-17(13-3-2-4-21-8-13)24-20-16(10-22-27(18)20)14-6-15(9-23-28)29-11-14;1-12-6-19(29-26-12)25-17-8-16(13-4-3-5-22-9-13)24-20-15(10-23-27(17)20)14-7-18(21-2)28-11-14;1-12-7-18(27-24-12)23-17-8-16(13-3-2-5-20-9-13)22-19-15(10-21-25(17)19)14-4-6-26-11-14;1-11-5-17(28-24-11)22-15-6-16(27-13-3-4-19-8-13)23-18-14(9-21-26(15)18)12-7-20-25(2)10-12/h4-5,7-8,11-12,15,23,27H,2-3,6,10H2,1H3;5-7,9-11,13,21,25,28H,2-4,8H2,1H3;6-8,10-11,13,22,25H,3-5,9H2,1H3;4,6-8,10-11,13,20,23H,2-3,5,9H2,1H3;5-7,9-10,13,19,22H,3-4,8H2,1-2H3.

What are the key properties of N-[3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;5-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile?

N-[3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;5-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile has a molecular weight of 2038.53 g/mol, XLogP of 18.98, 22 rotatable bonds, 11 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;5-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 160515168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).