2-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H19ClN8O — CID 90199039

IUPAC2-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCC(N)CC1
InChIInChI=1S/C17H19ClN8O/c18-10-7-22-16-14(15(20)24-26(16)9-10)17(27)23-12-8-21-4-1-13(12)25-5-2-11(19)3-6-25/h1,4,7-9,11H,2-3,5-6,19H2,(H2,20,24)(H,23,27)
InChIKeyXWNUGJMNJZIPEJ-UHFFFAOYSA-N
MW386.85 g/mol
LogP1.54
Rot. Bonds3

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

2-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199039) has the molecular formula C17H19ClN8O and a molecular weight of 386.85 g/mol. Its IUPAC name is 2-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199039
Molecular FormulaC17H19ClN8O
Molecular Weight386.85 g/mol
Exact Mass386.14
IUPAC Name2-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCC(N)CC1
InChIInChI=1S/C17H19ClN8O/c18-10-7-22-16-14(15(20)24-26(16)9-10)17(27)23-12-8-21-4-1-13(12)25-5-2-11(19)3-6-25/h1,4,7-9,11H,2-3,5-6,19H2,(H2,20,24)(H,23,27)
InChIKeyXWNUGJMNJZIPEJ-UHFFFAOYSA-N
XLogP1.54
TPSA127.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199039) is 2-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCC(N)CC1.
What is the InChIKey of 2-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XWNUGJMNJZIPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN8O/c18-10-7-22-16-14(15(20)24-26(16)9-10)17(27)23-12-8-21-4-1-13(12)25-5-2-11(19)3-6-25/h1,4,7-9,11H,2-3,5-6,19H2,(H2,20,24)(H,23,27).
What are the key properties of 2-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 386.85 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).