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

C21H25ClN8O2 — CID 90200162

IUPAC2-amino-6-chloro-N-[4-(4-morpholin-4-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C21H25ClN8O2/c22-14-11-25-20-18(19(23)27-30(20)13-14)21(31)26-16-12-24-4-1-17(16)29-5-2-15(3-6-29)28-7-9-32-10-8-28/h1,4,11-13,15H,2-3,5-10H2,(H2,23,27)(H,26,31)
InChIKeyNBNVPIUTDQHMCU-UHFFFAOYSA-N
MW456.94 g/mol
LogP1.91
Rot. Bonds4

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

2-amino-6-chloro-N-[4-(4-morpholin-4-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90200162) has the molecular formula C21H25ClN8O2 and a molecular weight of 456.94 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[4-(4-morpholin-4-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[4-(4-morpholin-4-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90200162
Molecular FormulaC21H25ClN8O2
Molecular Weight456.94 g/mol
Exact Mass456.18
IUPAC Name2-amino-6-chloro-N-[4-(4-morpholin-4-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C21H25ClN8O2/c22-14-11-25-20-18(19(23)27-30(20)13-14)21(31)26-16-12-24-4-1-17(16)29-5-2-15(3-6-29)28-7-9-32-10-8-28/h1,4,11-13,15H,2-3,5-10H2,(H2,23,27)(H,26,31)
InChIKeyNBNVPIUTDQHMCU-UHFFFAOYSA-N
XLogP1.91
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.94
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[4-(4-morpholin-4-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[4-(4-morpholin-4-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90200162) is 2-amino-6-chloro-N-[4-(4-morpholin-4-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[4-(4-morpholin-4-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[4-(4-morpholin-4-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 2-amino-6-chloro-N-[4-(4-morpholin-4-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NBNVPIUTDQHMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN8O2/c22-14-11-25-20-18(19(23)27-30(20)13-14)21(31)26-16-12-24-4-1-17(16)29-5-2-15(3-6-29)28-7-9-32-10-8-28/h1,4,11-13,15H,2-3,5-10H2,(H2,23,27)(H,26,31).
What are the key properties of 2-amino-6-chloro-N-[4-(4-morpholin-4-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-chloro-N-[4-(4-morpholin-4-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 456.94 g/mol, XLogP of 1.91, 4 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-morpholin-4-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90200162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).