4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile

C20H19N7OS — CID 24822501

IUPAC4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile
SMILESCc1cc(Nc2cc(C3CCCNC3)nc3c(-c4coc(C#N)c4)cnn23)sn1
InChIInChI=1S/C20H19N7OS/c1-12-5-19(29-26-12)25-18-7-17(13-3-2-4-22-9-13)24-20-16(10-23-27(18)20)14-6-15(8-21)28-11-14/h5-7,10-11,13,22,25H,2-4,9H2,1H3
InChIKeyJNYSRKCMJLUZRT-UHFFFAOYSA-N
MW405.49 g/mol
LogP3.84
Rot. Bonds4

About 4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile

4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile (PubChem CID 24822501) has the molecular formula C20H19N7OS and a molecular weight of 405.49 g/mol. Its IUPAC name is 4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile.

Molecular Properties

Compound Name4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile
PubChem CID24822501
Molecular FormulaC20H19N7OS
Molecular Weight405.49 g/mol
Exact Mass405.14
IUPAC Name4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile
SMILESCc1cc(Nc2cc(C3CCCNC3)nc3c(-c4coc(C#N)c4)cnn23)sn1
InChIInChI=1S/C20H19N7OS/c1-12-5-19(29-26-12)25-18-7-17(13-3-2-4-22-9-13)24-20-16(10-23-27(18)20)14-6-15(8-21)28-11-14/h5-7,10-11,13,22,25H,2-4,9H2,1H3
InChIKeyJNYSRKCMJLUZRT-UHFFFAOYSA-N
XLogP3.84
TPSA104.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile?
The IUPAC name of 4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile (CID 24822501) is 4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile.
What is the SMILES notation for 4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile?
The canonical SMILES for 4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile is Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4coc(C#N)c4)cnn23)sn1.
What is the InChIKey of 4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile?
The InChIKey is JNYSRKCMJLUZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7OS/c1-12-5-19(29-26-12)25-18-7-17(13-3-2-4-22-9-13)24-20-16(10-23-27(18)20)14-6-15(8-21)28-11-14/h5-7,10-11,13,22,25H,2-4,9H2,1H3.
What are the key properties of 4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile?
4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile has a molecular weight of 405.49 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile is sourced from PubChem (CID 24822501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).