N-[3-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]-7-[3-[4-[1-(3,5-dimethyl-2-pyridinyl)-5-[(2-pyrazolo[1,5-a]pyrimidin-3-ylacetyl)amino]pyrazol-3-yl]piperidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C51H58N16O2 — CID 123155984

About N-[3-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]-7-[3-[4-[1-(3,5-dimethyl-2-pyridinyl)-5-[(2-pyrazolo[1,5-a]pyrimidin-3-ylacetyl)amino]pyrazol-3-yl]piperidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]-7-[3-[4-[1-(3,5-dimethyl-2-pyridinyl)-5-[(2-pyrazolo[1,5-a]pyrimidin-3-ylacetyl)amino]pyrazol-3-yl]piperidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 123155984) has the molecular formula C51H58N16O2 and a molecular weight of 927.13 g/mol. Its IUPAC name is N-[3-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]-7-[3-[4-[1-(3,5-dimethyl-2-pyridinyl)-5-[(2-pyrazolo[1,5-a]pyrimidin-3-ylacetyl)amino]pyrazol-3-yl]piperidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]-7-[3-[4-[1-(3,5-dimethyl-2-pyridinyl)-5-[(2-pyrazolo[1,5-a]pyrimidin-3-ylacetyl)amino]pyrazol-3-yl]piperidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 123155984
• Molecular Formula: C51H58N16O2
• Molecular Weight: 927.13 g/mol
• Exact Mass: 926.49
• IUPAC Name: N-[3-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]-7-[3-[4-[1-(3,5-dimethyl-2-pyridinyl)-5-[(2-pyrazolo[1,5-a]pyrimidin-3-ylacetyl)amino]pyrazol-3-yl]piperidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccc(-n2nc(C3CCN(CC4CC4)CC3)cc2NC(=O)c2cnn3c(CCCN4CCC(c5cc(NC(=O)Cc6cnn7cccnc67)n(-c6ncc(C)cc6C)n5)CC4)ccnc23)nc1
• InChI: InChI=1S/C51H58N16O2/c1-33-7-10-44(54-28-33)66-46(27-42(60-66)38-14-22-63(23-15-38)32-36-8-9-36)59-51(69)41-31-57-65-40(11-17-53-50(41)65)6-4-18-62-20-12-37(13-21-62)43-26-45(67(61-43)48-35(3)24-34(2)29-55-48)58-47(68)25-39-30-56-64-19-5-16-52-49(39)64/h5,7,10-11,16-17,19,24,26-31,36-38H,4,6,8-9,12-15,18,20-23,25,32H2,1-3H3,(H,58,68)(H,59,69)
• InChIKey: SMUMBEBJRSTPQF-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 186.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	927.13
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]-7-[3-[4-[1-(3,5-dimethyl-2-pyridinyl)-5-[(2-pyrazolo[1,5-a]pyrimidin-3-ylacetyl)amino]pyrazol-3-yl]piperidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]-7-[3-[4-[1-(3,5-dimethyl-2-pyridinyl)-5-[(2-pyrazolo[1,5-a]pyrimidin-3-ylacetyl)amino]pyrazol-3-yl]piperidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 123155984) is N-[3-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]-7-[3-[4-[1-(3,5-dimethyl-2-pyridinyl)-5-[(2-pyrazolo[1,5-a]pyrimidin-3-ylacetyl)amino]pyrazol-3-yl]piperidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]-7-[3-[4-[1-(3,5-dimethyl-2-pyridinyl)-5-[(2-pyrazolo[1,5-a]pyrimidin-3-ylacetyl)amino]pyrazol-3-yl]piperidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]-7-[3-[4-[1-(3,5-dimethyl-2-pyridinyl)-5-[(2-pyrazolo[1,5-a]pyrimidin-3-ylacetyl)amino]pyrazol-3-yl]piperidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(C3CCN(CC4CC4)CC3)cc2NC(=O)c2cnn3c(CCCN4CCC(c5cc(NC(=O)Cc6cnn7cccnc67)n(-c6ncc(C)cc6C)n5)CC4)ccnc23)nc1.

What is the InChIKey of N-[3-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]-7-[3-[4-[1-(3,5-dimethyl-2-pyridinyl)-5-[(2-pyrazolo[1,5-a]pyrimidin-3-ylacetyl)amino]pyrazol-3-yl]piperidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is SMUMBEBJRSTPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H58N16O2/c1-33-7-10-44(54-28-33)66-46(27-42(60-66)38-14-22-63(23-15-38)32-36-8-9-36)59-51(69)41-31-57-65-40(11-17-53-50(41)65)6-4-18-62-20-12-37(13-21-62)43-26-45(67(61-43)48-35(3)24-34(2)29-55-48)58-47(68)25-39-30-56-64-19-5-16-52-49(39)64/h5,7,10-11,16-17,19,24,26-31,36-38H,4,6,8-9,12-15,18,20-23,25,32H2,1-3H3,(H,58,68)(H,59,69).

What are the key properties of N-[3-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]-7-[3-[4-[1-(3,5-dimethyl-2-pyridinyl)-5-[(2-pyrazolo[1,5-a]pyrimidin-3-ylacetyl)amino]pyrazol-3-yl]piperidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]-7-[3-[4-[1-(3,5-dimethyl-2-pyridinyl)-5-[(2-pyrazolo[1,5-a]pyrimidin-3-ylacetyl)amino]pyrazol-3-yl]piperidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 927.13 g/mol, XLogP of 6.69, 15 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]-7-[3-[4-[1-(3,5-dimethyl-2-pyridinyl)-5-[(2-pyrazolo[1,5-a]pyrimidin-3-ylacetyl)amino]pyrazol-3-yl]piperidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 123155984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).