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

C18H21ClN8O — CID 90199195

IUPAC2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CN(C)CCN1c1ccncc1NC(=O)c1c(N)nn2cc(Cl)cnc12
InChIInChI=1S/C18H21ClN8O/c1-11-9-25(2)5-6-26(11)14-3-4-21-8-13(14)23-18(28)15-16(20)24-27-10-12(19)7-22-17(15)27/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H2,20,24)(H,23,28)
InChIKeyKABYYBHYBHWWGN-UHFFFAOYSA-N
MW400.87 g/mol
LogP1.75
Rot. Bonds3

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

2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199195) has the molecular formula C18H21ClN8O and a molecular weight of 400.87 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199195
Molecular FormulaC18H21ClN8O
Molecular Weight400.87 g/mol
Exact Mass400.15
IUPAC Name2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CN(C)CCN1c1ccncc1NC(=O)c1c(N)nn2cc(Cl)cnc12
InChIInChI=1S/C18H21ClN8O/c1-11-9-25(2)5-6-26(11)14-3-4-21-8-13(14)23-18(28)15-16(20)24-27-10-12(19)7-22-17(15)27/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H2,20,24)(H,23,28)
InChIKeyKABYYBHYBHWWGN-UHFFFAOYSA-N
XLogP1.75
TPSA104.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199195) is 2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1CN(C)CCN1c1ccncc1NC(=O)c1c(N)nn2cc(Cl)cnc12.
What is the InChIKey of 2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KABYYBHYBHWWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN8O/c1-11-9-25(2)5-6-26(11)14-3-4-21-8-13(14)23-18(28)15-16(20)24-27-10-12(19)7-22-17(15)27/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H2,20,24)(H,23,28).
What are the key properties of 2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).