2-amino-6-fluoro-N-[4-(3-methyl-4,5-dihydrotriazol-4-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H26FN9O — CID 129134498

IUPAC2-amino-6-fluoro-N-[4-(3-methyl-4,5-dihydrotriazol-4-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1N=NCC1C1CCNCC1NC(=O)C1C(N)NN2C=C(F)CNC12
InChIInChI=1S/C15H26FN9O/c1-24-11(6-20-23-24)9-2-3-18-5-10(9)21-15(26)12-13(17)22-25-7-8(16)4-19-14(12)25/h7,9-14,18-19,22H,2-6,17H2,1H3,(H,21,26)
InChIKeyPAXAYGDYCBWCRK-UHFFFAOYSA-N
MW367.43 g/mol
LogP-1.78
Rot. Bonds3

About 2-amino-6-fluoro-N-[4-(3-methyl-4,5-dihydrotriazol-4-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-(3-methyl-4,5-dihydrotriazol-4-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129134498) has the molecular formula C15H26FN9O and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-(3-methyl-4,5-dihydrotriazol-4-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-(3-methyl-4,5-dihydrotriazol-4-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129134498
Molecular FormulaC15H26FN9O
Molecular Weight367.43 g/mol
Exact Mass367.22
IUPAC Name2-amino-6-fluoro-N-[4-(3-methyl-4,5-dihydrotriazol-4-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1N=NCC1C1CCNCC1NC(=O)C1C(N)NN2C=C(F)CNC12
InChIInChI=1S/C15H26FN9O/c1-24-11(6-20-23-24)9-2-3-18-5-10(9)21-15(26)12-13(17)22-25-7-8(16)4-19-14(12)25/h7,9-14,18-19,22H,2-6,17H2,1H3,(H,21,26)
InChIKeyPAXAYGDYCBWCRK-UHFFFAOYSA-N
XLogP-1.78
TPSA122.41 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 5-1.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-6-fluoro-N-[4-(3-methylpiperazin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129134756
2-amino-N-[4-(1,3-dimethylpyrazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134340034
2-amino-6-fluoro-N-[4-(3-methylpiperazin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134340032
2-amino-6-fluoro-N-[4-(5-methyl-1,2,4-triazolidin-1-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134339808
2-amino-6-fluoro-N-(4-piperidin-1-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643738
N-[4-[(3aR,7aR)-2-methyl-3-oxo-1,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643866
2-amino-6-chloro-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130279923
2-amino-6-fluoro-N-[4-(4-methylsulfonylpiperidin-1-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643838
2-amino-N-[4-[4-[2-(dimethylamino)ethyl]pyrazolidin-1-yl]piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134577780
2-amino-6-fluoro-N-[4-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140644141
2-amino-N-[4-(2-cyclopropylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134577653
2-amino-6-(cyanomethyl)-N-[4-(4-methylpiperazin-1-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643883

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-(3-methyl-4,5-dihydrotriazol-4-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-(3-methyl-4,5-dihydrotriazol-4-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129134498) is 2-amino-6-fluoro-N-[4-(3-methyl-4,5-dihydrotriazol-4-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-(3-methyl-4,5-dihydrotriazol-4-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-(3-methyl-4,5-dihydrotriazol-4-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1N=NCC1C1CCNCC1NC(=O)C1C(N)NN2C=C(F)CNC12.
What is the InChIKey of 2-amino-6-fluoro-N-[4-(3-methyl-4,5-dihydrotriazol-4-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PAXAYGDYCBWCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN9O/c1-24-11(6-20-23-24)9-2-3-18-5-10(9)21-15(26)12-13(17)22-25-7-8(16)4-19-14(12)25/h7,9-14,18-19,22H,2-6,17H2,1H3,(H,21,26).
What are the key properties of 2-amino-6-fluoro-N-[4-(3-methyl-4,5-dihydrotriazol-4-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-(3-methyl-4,5-dihydrotriazol-4-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 367.43 g/mol, XLogP of -1.78, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-(3-methyl-4,5-dihydrotriazol-4-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129134498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).