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

C19H21FN8O — CID 90199013

IUPACN-[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
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN2CCCC2C1
InChIInChI=1S/C19H21FN8O/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)
InChIKeyIPXXGKMVFOCFGL-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.38
Rot. Bonds3

About 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

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 (PubChem CID 90199013) has the molecular formula C19H21FN8O and a molecular weight of 396.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID90199013
Molecular FormulaC19H21FN8O
Molecular Weight396.43 g/mol
Exact Mass396.18
IUPAC NameN-[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
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN2CCCC2C1
InChIInChI=1S/C19H21FN8O/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)
InChIKeyIPXXGKMVFOCFGL-UHFFFAOYSA-N
XLogP1.38
TPSA104.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(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
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-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-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199599
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
2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199457
2-amino-N-[4-[4-[4-(azetidin-1-yl)piperidine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199659
2-amino-6-fluoro-N-[4-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199450
2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199371
2-amino-6-fluoro-N-[4-[1-(1-hydroxyethyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134340082
2-amino-6-fluoro-N-[3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90448292

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN2CCCC2C1.
What is the InChIKey of 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?
The InChIKey is IPXXGKMVFOCFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN8O/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).
What are the key properties of 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?
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 has a molecular weight of 396.43 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90199013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).