N-[1-[(Z)-2-amino-3-[[1-[(3R)-oxolan-3-yl]piperidin-4-yl]amino]prop-2-enyl]-3-(2-methyl-5-propan-2-ylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C32H41N9O2S — CID 142477443

About N-[1-[(Z)-2-amino-3-[[1-[(3R)-oxolan-3-yl]piperidin-4-yl]amino]prop-2-enyl]-3-(2-methyl-5-propan-2-ylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-[(Z)-2-amino-3-[[1-[(3R)-oxolan-3-yl]piperidin-4-yl]amino]prop-2-enyl]-3-(2-methyl-5-propan-2-ylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142477443) has the molecular formula C32H41N9O2S and a molecular weight of 615.81 g/mol. Its IUPAC name is N-[1-[(Z)-2-amino-3-[[1-[(3R)-oxolan-3-yl]piperidin-4-yl]amino]prop-2-enyl]-3-(2-methyl-5-propan-2-ylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(Z)-2-amino-3-[[1-[(3R)-oxolan-3-yl]piperidin-4-yl]amino]prop-2-enyl]-3-(2-methyl-5-propan-2-ylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 142477443
• Molecular Formula: C32H41N9O2S
• Molecular Weight: 615.81 g/mol
• Exact Mass: 615.31
• IUPAC Name: N-[1-[(Z)-2-amino-3-[[1-[(3R)-oxolan-3-yl]piperidin-4-yl]amino]prop-2-enyl]-3-(2-methyl-5-propan-2-ylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccc(SC(C)C)cc1-c1nn(C/C(N)=C/NC2CCN([C@@H]3CCOC3)CC2)cc1NC(=O)c1cnn2cccnc12
• InChI: InChI=1S/C32H41N9O2S/c1-21(2)44-26-6-5-22(3)27(15-26)30-29(37-32(42)28-17-36-41-11-4-10-34-31(28)41)19-40(38-30)18-23(33)16-35-24-7-12-39(13-8-24)25-9-14-43-20-25/h4-6,10-11,15-17,19,21,24-25,35H,7-9,12-14,18,20,33H2,1-3H3,(H,37,42)/b23-16-/t25-/m1/s1
• InChIKey: LUUPFWRKEJTWHP-QKSFETHESA-N
• XLogP: 4.30
• TPSA: 127.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.81
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[1-[(Z)-2-amino-3-[[1-[(3R)-oxolan-3-yl]piperidin-4-yl]amino]prop-2-enyl]-3-(2-methyl-5-propan-2-ylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[1-[(Z)-2-amino-3-[[1-[(3R)-oxolan-3-yl]piperidin-4-yl]amino]prop-2-enyl]-3-(2-methyl-5-propan-2-ylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142477443) is N-[1-[(Z)-2-amino-3-[[1-[(3R)-oxolan-3-yl]piperidin-4-yl]amino]prop-2-enyl]-3-(2-methyl-5-propan-2-ylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[1-[(Z)-2-amino-3-[[1-[(3R)-oxolan-3-yl]piperidin-4-yl]amino]prop-2-enyl]-3-(2-methyl-5-propan-2-ylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[1-[(Z)-2-amino-3-[[1-[(3R)-oxolan-3-yl]piperidin-4-yl]amino]prop-2-enyl]-3-(2-methyl-5-propan-2-ylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(SC(C)C)cc1-c1nn(C/C(N)=C/NC2CCN([C@@H]3CCOC3)CC2)cc1NC(=O)c1cnn2cccnc12.

What is the InChIKey of N-[1-[(Z)-2-amino-3-[[1-[(3R)-oxolan-3-yl]piperidin-4-yl]amino]prop-2-enyl]-3-(2-methyl-5-propan-2-ylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is LUUPFWRKEJTWHP-QKSFETHESA-N. The full InChI is InChI=1S/C32H41N9O2S/c1-21(2)44-26-6-5-22(3)27(15-26)30-29(37-32(42)28-17-36-41-11-4-10-34-31(28)41)19-40(38-30)18-23(33)16-35-24-7-12-39(13-8-24)25-9-14-43-20-25/h4-6,10-11,15-17,19,21,24-25,35H,7-9,12-14,18,20,33H2,1-3H3,(H,37,42)/b23-16-/t25-/m1/s1.

What are the key properties of N-[1-[(Z)-2-amino-3-[[1-[(3R)-oxolan-3-yl]piperidin-4-yl]amino]prop-2-enyl]-3-(2-methyl-5-propan-2-ylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[1-[(Z)-2-amino-3-[[1-[(3R)-oxolan-3-yl]piperidin-4-yl]amino]prop-2-enyl]-3-(2-methyl-5-propan-2-ylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 615.81 g/mol, XLogP of 4.30, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(Z)-2-amino-3-[[1-[(3R)-oxolan-3-yl]piperidin-4-yl]amino]prop-2-enyl]-3-(2-methyl-5-propan-2-ylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142477443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).