N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H21ClN8O — CID 90200052

IUPACN-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCN2CCC[C@H]2C1
InChIInChI=1S/C19H21ClN8O/c20-12-8-23-18-16(17(21)25-28(18)10-12)19(29)24-14-9-22-4-3-15(14)27-7-6-26-5-1-2-13(26)11-27/h3-4,8-10,13H,1-2,5-7,11H2,(H2,21,25)(H,24,29)/t13-/m0/s1
InChIKeyDXXZQMYNILEOEP-ZDUSSCGKSA-N
MW412.89 g/mol
LogP1.90
Rot. Bonds3

About N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90200052) has the molecular formula C19H21ClN8O and a molecular weight of 412.89 g/mol. Its IUPAC name is N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90200052
Molecular FormulaC19H21ClN8O
Molecular Weight412.89 g/mol
Exact Mass412.15
IUPAC NameN-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCN2CCC[C@H]2C1
InChIInChI=1S/C19H21ClN8O/c20-12-8-23-18-16(17(21)25-28(18)10-12)19(29)24-14-9-22-4-3-15(14)27-7-6-26-5-1-2-13(26)11-27/h3-4,8-10,13H,1-2,5-7,11H2,(H2,21,25)(H,24,29)/t13-/m0/s1
InChIKeyDXXZQMYNILEOEP-ZDUSSCGKSA-N
XLogP1.90
TPSA104.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.89
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199012
N-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199013
2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199600
2-amino-6-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199894
2-amino-6-(2-cyanopropan-2-yl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199868
2-amino-6-fluoro-N-[4-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200157
2-amino-6-(cyanomethyl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74763446
2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199599
2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199957
2-amino-6-chloro-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200036
2-amino-6-fluoro-N-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85472291
4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine
CID 90205773

Frequently Asked Questions

What is the IUPAC name of N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90200052) is N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCN2CCC[C@H]2C1.
What is the InChIKey of N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DXXZQMYNILEOEP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21ClN8O/c20-12-8-23-18-16(17(21)25-28(18)10-12)19(29)24-14-9-22-4-3-15(14)27-7-6-26-5-1-2-13(26)11-27/h3-4,8-10,13H,1-2,5-7,11H2,(H2,21,25)(H,24,29)/t13-/m0/s1.
What are the key properties of N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 412.89 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90200052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).