N-(1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridin-4-yl)-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H28FN7O — CID 129134598

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridin-4-yl)-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)NC1CNCC2CNCCC21
InChIInChI=1S/C15H28FN7O/c16-9-5-20-14-12(13(17)22-23(14)7-9)15(24)21-11-6-19-4-8-3-18-2-1-10(8)11/h8-14,18-20,22H,1-7,17H2,(H,21,24)
InChIKeyCCBQRUAWSPTEIK-UHFFFAOYSA-N
MW341.44 g/mol
LogP-2.71
Rot. Bonds2

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridin-4-yl)-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridin-4-yl)-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129134598) has the molecular formula C15H28FN7O and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridin-4-yl)-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridin-4-yl)-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129134598
Molecular FormulaC15H28FN7O
Molecular Weight341.44 g/mol
Exact Mass341.23
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridin-4-yl)-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)NC1CNCC2CNCCC21
InChIInChI=1S/C15H28FN7O/c16-9-5-20-14-12(13(17)22-23(14)7-9)15(24)21-11-6-19-4-8-3-18-2-1-10(8)11/h8-14,18-20,22H,1-7,17H2,(H,21,24)
InChIKeyCCBQRUAWSPTEIK-UHFFFAOYSA-N
XLogP-2.71
TPSA106.48 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.44
LogP ≤ 5-2.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze N-(1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridin-4-yl)-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridin-4-yl)-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridin-4-yl)-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129134598) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridin-4-yl)-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridin-4-yl)-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridin-4-yl)-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1NN2CC(F)CNC2C1C(=O)NC1CNCC2CNCCC21.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridin-4-yl)-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CCBQRUAWSPTEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN7O/c16-9-5-20-14-12(13(17)22-23(14)7-9)15(24)21-11-6-19-4-8-3-18-2-1-10(8)11/h8-14,18-20,22H,1-7,17H2,(H,21,24).
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridin-4-yl)-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridin-4-yl)-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 341.44 g/mol, XLogP of -2.71, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridin-4-yl)-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129134598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).