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

C18H32FN7O2 — CID 140643748

IUPAC2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(C2CCNCC2NC(=O)C2C(N)NN3CC(F)CNC23)CC1=O
InChIInChI=1S/C18H32FN7O2/c1-25-5-3-10(6-14(25)27)12-2-4-21-8-13(12)23-18(28)15-16(20)24-26-9-11(19)7-22-17(15)26/h10-13,15-17,21-22,24H,2-9,20H2,1H3,(H,23,28)
InChIKeyCQSVMTKRDXRJFH-UHFFFAOYSA-N
MW397.50 g/mol
LogP-2.06
Rot. Bonds3

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

2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140643748) has the molecular formula C18H32FN7O2 and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-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-[4-(1-methyl-2-oxopiperidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140643748
Molecular FormulaC18H32FN7O2
Molecular Weight397.50 g/mol
Exact Mass397.26
IUPAC Name2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(C2CCNCC2NC(=O)C2C(N)NN3CC(F)CNC23)CC1=O
InChIInChI=1S/C18H32FN7O2/c1-25-5-3-10(6-14(25)27)12-2-4-21-8-13(12)23-18(28)15-16(20)24-26-9-11(19)7-22-17(15)26/h10-13,15-17,21-22,24H,2-9,20H2,1H3,(H,23,28)
InChIKeyCQSVMTKRDXRJFH-UHFFFAOYSA-N
XLogP-2.06
TPSA114.76 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 5-2.06
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-[4-(1-methyl-2-oxopiperidin-4-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-[4-(1-methyl-2-oxopiperidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140643748) is 2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-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-[4-(1-methyl-2-oxopiperidin-4-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-[4-(1-methyl-2-oxopiperidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC(C2CCNCC2NC(=O)C2C(N)NN3CC(F)CNC23)CC1=O.
What is the InChIKey of 2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CQSVMTKRDXRJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32FN7O2/c1-25-5-3-10(6-14(25)27)12-2-4-21-8-13(12)23-18(28)15-16(20)24-26-9-11(19)7-22-17(15)26/h10-13,15-17,21-22,24H,2-9,20H2,1H3,(H,23,28).
What are the key properties of 2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 397.50 g/mol, XLogP of -2.06, 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-[4-(1-methyl-2-oxopiperidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140643748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).