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

C18H34FN7O — CID 134577895

IUPAC2-amino-6-fluoro-N-(1-methyl-4-piperidin-2-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(C2CCCCN2)C(NC(=O)C2C(N)NN3CC(F)CNC23)C1
InChIInChI=1S/C18H34FN7O/c1-25-7-5-12(13-4-2-3-6-21-13)14(10-25)23-18(27)15-16(20)24-26-9-11(19)8-22-17(15)26/h11-17,21-22,24H,2-10,20H2,1H3,(H,23,27)
InChIKeyOMXJTILNMWPBLE-UHFFFAOYSA-N
MW383.52 g/mol
LogP-1.45
Rot. Bonds3

About 2-amino-6-fluoro-N-(1-methyl-4-piperidin-2-ylpiperidin-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-piperidin-2-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134577895) has the molecular formula C18H34FN7O and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(1-methyl-4-piperidin-2-ylpiperidin-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-piperidin-2-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134577895
Molecular FormulaC18H34FN7O
Molecular Weight383.52 g/mol
Exact Mass383.28
IUPAC Name2-amino-6-fluoro-N-(1-methyl-4-piperidin-2-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(C2CCCCN2)C(NC(=O)C2C(N)NN3CC(F)CNC23)C1
InChIInChI=1S/C18H34FN7O/c1-25-7-5-12(13-4-2-3-6-21-13)14(10-25)23-18(27)15-16(20)24-26-9-11(19)8-22-17(15)26/h11-17,21-22,24H,2-10,20H2,1H3,(H,23,27)
InChIKeyOMXJTILNMWPBLE-UHFFFAOYSA-N
XLogP-1.45
TPSA97.69 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 5-1.45
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-piperidin-2-ylpiperidin-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-piperidin-2-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134577895) is 2-amino-6-fluoro-N-(1-methyl-4-piperidin-2-ylpiperidin-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-piperidin-2-ylpiperidin-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-piperidin-2-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC(C2CCCCN2)C(NC(=O)C2C(N)NN3CC(F)CNC23)C1.
What is the InChIKey of 2-amino-6-fluoro-N-(1-methyl-4-piperidin-2-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OMXJTILNMWPBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34FN7O/c1-25-7-5-12(13-4-2-3-6-21-13)14(10-25)23-18(27)15-16(20)24-26-9-11(19)8-22-17(15)26/h11-17,21-22,24H,2-10,20H2,1H3,(H,23,27).
What are the key properties of 2-amino-6-fluoro-N-(1-methyl-4-piperidin-2-ylpiperidin-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-piperidin-2-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 383.52 g/mol, XLogP of -1.45, 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-piperidin-2-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134577895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).