1-[4-[6-acetyl-7-amino-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;7-amino-5-[1-(3-amino-2-methylpropanoyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane

C109H127N27O13 — CID 158751336

About 1-[4-[6-acetyl-7-amino-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;7-amino-5-[1-(3-amino-2-methylpropanoyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane

1-[4-[6-acetyl-7-amino-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;7-amino-5-[1-(3-amino-2-methylpropanoyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane (PubChem CID 158751336) has the molecular formula C109H127N27O13 and a molecular weight of 2023.39 g/mol. Its IUPAC name is 1-[4-[6-acetyl-7-amino-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;7-amino-5-[1-(3-amino-2-methylpropanoyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane.

Molecular Properties

• Compound Name: 1-[4-[6-acetyl-7-amino-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;7-amino-5-[1-(3-amino-2-methylpropanoyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane
• PubChem CID: 158751336
• Molecular Formula: C109H127N27O13
• Molecular Weight: 2023.39 g/mol
• Exact Mass: 2022.01
• IUPAC Name: 1-[4-[6-acetyl-7-amino-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;7-amino-5-[1-(3-amino-2-methylpropanoyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane
• SMILES: C.C.C.CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3ccc(C4=NC=CC4)nc3)cnn2c1N.CC(CN)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C=O)CC1.CC(CO)(CO)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C=O)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(C5=NC=CC5)nc4)cnn3c(N)c2C=O)CC1
• InChI: InChI=1S/C28H30N6O4.C27H31N7O4.C27H29N7O2.C24H25N7O3.3CH4/c1-28(16-36,17-37)27(38)33-11-9-19(10-12-33)24-22(15-35)25(29)34-26(32-24)21(14-31-34)20-7-8-23(30-13-20)18-5-3-2-4-6-18;1-16(37)22-23(17-7-10-33(11-8-17)26(38)27(2,14-35)15-36)32-25-19(13-31-34(25)24(22)28)18-5-6-21(30-12-18)20-4-3-9-29-20;1-17(13-28)27(36)33-11-9-19(10-12-33)24-22(16-35)25(29)34-26(32-24)21(15-31-34)20-7-8-23(30-14-20)18-5-3-2-4-6-18;1-14(33)24(34)30-9-6-15(7-10-30)21-18(13-32)22(25)31-23(29-21)17(12-28-31)16-4-5-20(27-11-16)19-3-2-8-26-19;;;/h2-8,13-15,19,36-37H,9-12,16-17,29H2,1H3;3,5-6,9,12-13,17,35-36H,4,7-8,10-11,14-15,28H2,1-2H3;2-8,14-17,19H,9-13,28-29H2,1H3;2,4-5,8,11-15,33H,3,6-7,9-10,25H2,1H3;3*1H4/t;;;14-;;;/m...1.../s1
• InChIKey: INNDDYBZDDKPQV-FOGZXJSXSA-N
• XLogP: 11.57
• TPSA: 577.81 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 25
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2023.39
LogP ≤ 5	11.57
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-acetyl-7-amino-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;7-amino-5-[1-(3-amino-2-methylpropanoyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

The IUPAC name of 1-[4-[6-acetyl-7-amino-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;7-amino-5-[1-(3-amino-2-methylpropanoyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane (CID 158751336) is 1-[4-[6-acetyl-7-amino-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;7-amino-5-[1-(3-amino-2-methylpropanoyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane.

What is the SMILES notation for 1-[4-[6-acetyl-7-amino-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;7-amino-5-[1-(3-amino-2-methylpropanoyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

The canonical SMILES for 1-[4-[6-acetyl-7-amino-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;7-amino-5-[1-(3-amino-2-methylpropanoyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane is C.C.C.CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3ccc(C4=NC=CC4)nc3)cnn2c1N.CC(CN)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C=O)CC1.CC(CO)(CO)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C=O)CC1.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(C5=NC=CC5)nc4)cnn3c(N)c2C=O)CC1.

What is the InChIKey of 1-[4-[6-acetyl-7-amino-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;7-amino-5-[1-(3-amino-2-methylpropanoyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

The InChIKey is INNDDYBZDDKPQV-FOGZXJSXSA-N. The full InChI is InChI=1S/C28H30N6O4.C27H31N7O4.C27H29N7O2.C24H25N7O3.3CH4/c1-28(16-36,17-37)27(38)33-11-9-19(10-12-33)24-22(15-35)25(29)34-26(32-24)21(14-31-34)20-7-8-23(30-13-20)18-5-3-2-4-6-18;1-16(37)22-23(17-7-10-33(11-8-17)26(38)27(2,14-35)15-36)32-25-19(13-31-34(25)24(22)28)18-5-6-21(30-12-18)20-4-3-9-29-20;1-17(13-28)27(36)33-11-9-19(10-12-33)24-22(16-35)25(29)34-26(32-24)21(15-31-34)20-7-8-23(30-14-20)18-5-3-2-4-6-18;1-14(33)24(34)30-9-6-15(7-10-30)21-18(13-32)22(25)31-23(29-21)17(12-28-31)16-4-5-20(27-11-16)19-3-2-8-26-19;;;/h2-8,13-15,19,36-37H,9-12,16-17,29H2,1H3;3,5-6,9,12-13,17,35-36H,4,7-8,10-11,14-15,28H2,1-2H3;2-8,14-17,19H,9-13,28-29H2,1H3;2,4-5,8,11-15,33H,3,6-7,9-10,25H2,1H3;3*1H4/t;;;14-;;;/m...1.../s1.

What are the key properties of 1-[4-[6-acetyl-7-amino-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;7-amino-5-[1-(3-amino-2-methylpropanoyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

1-[4-[6-acetyl-7-amino-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;7-amino-5-[1-(3-amino-2-methylpropanoyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane has a molecular weight of 2023.39 g/mol, XLogP of 11.57, 25 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-acetyl-7-amino-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;7-amino-5-[1-(3-amino-2-methylpropanoyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-(3H-pyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane is sourced from PubChem (CID 158751336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).