2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)pyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H30ClN9O — CID 90199283

About 2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)pyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)pyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199283) has the molecular formula C23H30ClN9O and a molecular weight of 484.01 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)pyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)pyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 90199283
• Molecular Formula: C23H30ClN9O
• Molecular Weight: 484.01 g/mol
• Exact Mass: 483.23
• IUPAC Name: 2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)pyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN(C)C1CCN(C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(Cl)cnc34)CC2)C1
• InChI: InChI=1S/C23H30ClN9O/c1-30(2)17-6-10-32(14-17)16-4-8-31(9-5-16)19-3-7-26-12-18(19)28-23(34)20-21(25)29-33-13-15(24)11-27-22(20)33/h3,7,11-13,16-17H,4-6,8-10,14H2,1-2H3,(H2,25,29)(H,28,34)
• InChIKey: PGHKKYLMOQNAPV-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 107.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.01
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)pyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)pyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199283) is 2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)pyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)pyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)pyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C1CCN(C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(Cl)cnc34)CC2)C1.

What is the InChIKey of 2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)pyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is PGHKKYLMOQNAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN9O/c1-30(2)17-6-10-32(14-17)16-4-8-31(9-5-16)19-3-7-26-12-18(19)28-23(34)20-21(25)29-33-13-15(24)11-27-22(20)33/h3,7,11-13,16-17H,4-6,8-10,14H2,1-2H3,(H2,25,29)(H,28,34).

What are the key properties of 2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)pyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)pyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 484.01 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-chloro-N-[4-[4-[3-(dimethylamino)pyrrolidin-1-yl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).