5-chloro-3-[[7-(methylamino)-3-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C70H79Cl3N20O12 — CID 158473121

About 5-chloro-3-[[7-(methylamino)-3-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-chloro-3-[[7-(methylamino)-3-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158473121) has the molecular formula C70H79Cl3N20O12 and a molecular weight of 1498.89 g/mol. Its IUPAC name is 5-chloro-3-[[7-(methylamino)-3-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-3-[[7-(methylamino)-3-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 158473121
• Molecular Formula: C70H79Cl3N20O12
• Molecular Weight: 1498.89 g/mol
• Exact Mass: 1496.53
• IUPAC Name: 5-chloro-3-[[7-(methylamino)-3-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cc(Cl)cn(C3CCCOC3)c2=O)nc2c(C(=O)NC3[C@H]4COC[C@@H]34)cnn12.CNc1cc(Nc2cc(Cl)cn([C@@H]3CCCOC3)c2=O)nc2c(C(=O)CC3[C@H]4COC[C@@H]34)cnn12.CNc1cc(Nc2cc(Cl)cn([C@H]3CCCOC3)c2=O)nc2c(C(=O)NC3[C@H]4COC[C@@H]34)cnn12
• InChI: InChI=1S/C24H27ClN6O4.2C23H26ClN7O4/c1-26-22-7-21(28-19-5-13(25)9-30(24(19)33)14-3-2-4-34-10-14)29-23-16(8-27-31(22)23)20(32)6-15-17-11-35-12-18(15)17;2*1-25-19-6-18(27-17-5-12(24)8-30(23(17)33)13-3-2-4-34-9-13)28-21-14(7-26-31(19)21)22(32)29-20-15-10-35-11-16(15)20/h5,7-9,14-15,17-18,26H,2-4,6,10-12H2,1H3,(H,28,29);2*5-8,13,15-16,20,25H,2-4,9-11H2,1H3,(H,27,28)(H,29,32)/t14-,15?,17-,18+;13?,15-,16+,20?;13-,15-,16+,20?/m1.0/s1
• InChIKey: HGPBDKZSADMHFR-AQEPMJGUSA-N
• XLogP: 7.26
• TPSA: 359.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1498.89
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[7-(methylamino)-3-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-chloro-3-[[7-(methylamino)-3-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158473121) is 5-chloro-3-[[7-(methylamino)-3-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-chloro-3-[[7-(methylamino)-3-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-chloro-3-[[7-(methylamino)-3-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(Cl)cn(C3CCCOC3)c2=O)nc2c(C(=O)NC3[C@H]4COC[C@@H]34)cnn12.CNc1cc(Nc2cc(Cl)cn([C@@H]3CCCOC3)c2=O)nc2c(C(=O)CC3[C@H]4COC[C@@H]34)cnn12.CNc1cc(Nc2cc(Cl)cn([C@H]3CCCOC3)c2=O)nc2c(C(=O)NC3[C@H]4COC[C@@H]34)cnn12.

What is the InChIKey of 5-chloro-3-[[7-(methylamino)-3-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is HGPBDKZSADMHFR-AQEPMJGUSA-N. The full InChI is InChI=1S/C24H27ClN6O4.2C23H26ClN7O4/c1-26-22-7-21(28-19-5-13(25)9-30(24(19)33)14-3-2-4-34-10-14)29-23-16(8-27-31(22)23)20(32)6-15-17-11-35-12-18(15)17;2*1-25-19-6-18(27-17-5-12(24)8-30(23(17)33)13-3-2-4-34-9-13)28-21-14(7-26-31(19)21)22(32)29-20-15-10-35-11-16(15)20/h5,7-9,14-15,17-18,26H,2-4,6,10-12H2,1H3,(H,28,29);2*5-8,13,15-16,20,25H,2-4,9-11H2,1H3,(H,27,28)(H,29,32)/t14-,15?,17-,18+;13?,15-,16+,20?;13-,15-,16+,20?/m1.0/s1.

What are the key properties of 5-chloro-3-[[7-(methylamino)-3-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-chloro-3-[[7-(methylamino)-3-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1498.89 g/mol, XLogP of 7.26, 19 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-[[7-(methylamino)-3-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158473121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).