2-amino-6-fluoro-N-[1-methyl-4-(3-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H36FN7O — CID 134577863

IUPAC2-amino-6-fluoro-N-[1-methyl-4-(3-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CCCNC1C1CCN(C)CC1NC(=O)C1C(N)NN2CC(F)CNC12
InChIInChI=1S/C19H36FN7O/c1-11-4-3-6-22-16(11)13-5-7-26(2)10-14(13)24-19(28)15-17(21)25-27-9-12(20)8-23-18(15)27/h11-18,22-23,25H,3-10,21H2,1-2H3,(H,24,28)
InChIKeyLHSRFJYTFYYJRN-UHFFFAOYSA-N
MW397.54 g/mol
LogP-1.20
Rot. Bonds3

About 2-amino-6-fluoro-N-[1-methyl-4-(3-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[1-methyl-4-(3-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134577863) has the molecular formula C19H36FN7O and a molecular weight of 397.54 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[1-methyl-4-(3-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[1-methyl-4-(3-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134577863
Molecular FormulaC19H36FN7O
Molecular Weight397.54 g/mol
Exact Mass397.30
IUPAC Name2-amino-6-fluoro-N-[1-methyl-4-(3-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CCCNC1C1CCN(C)CC1NC(=O)C1C(N)NN2CC(F)CNC12
InChIInChI=1S/C19H36FN7O/c1-11-4-3-6-22-16(11)13-5-7-26(2)10-14(13)24-19(28)15-17(21)25-27-9-12(20)8-23-18(15)27/h11-18,22-23,25H,3-10,21H2,1-2H3,(H,24,28)
InChIKeyLHSRFJYTFYYJRN-UHFFFAOYSA-N
XLogP-1.20
TPSA97.69 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 5-1.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[1-methyl-4-(3-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[1-methyl-4-(3-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134577863) is 2-amino-6-fluoro-N-[1-methyl-4-(3-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[1-methyl-4-(3-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[1-methyl-4-(3-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1CCCNC1C1CCN(C)CC1NC(=O)C1C(N)NN2CC(F)CNC12.
What is the InChIKey of 2-amino-6-fluoro-N-[1-methyl-4-(3-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LHSRFJYTFYYJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36FN7O/c1-11-4-3-6-22-16(11)13-5-7-26(2)10-14(13)24-19(28)15-17(21)25-27-9-12(20)8-23-18(15)27/h11-18,22-23,25H,3-10,21H2,1-2H3,(H,24,28).
What are the key properties of 2-amino-6-fluoro-N-[1-methyl-4-(3-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[1-methyl-4-(3-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 397.54 g/mol, XLogP of -1.20, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[1-methyl-4-(3-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134577863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).