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

C18H32FN7O — CID 129132882

IUPAC2-amino-6-fluoro-N-[4-(1-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCCCC1C1CCNCC1NC(=O)C1C(N)NN2C=C(F)CNC12
InChIInChI=1S/C18H32FN7O/c1-25-7-3-2-4-14(25)12-5-6-21-9-13(12)23-18(27)15-16(20)24-26-10-11(19)8-22-17(15)26/h10,12-17,21-22,24H,2-9,20H2,1H3,(H,23,27)
InChIKeyGKOZHHUIHJXYQP-UHFFFAOYSA-N
MW381.50 g/mol
LogP-0.97
Rot. Bonds3

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

2-amino-6-fluoro-N-[4-(1-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129132882) has the molecular formula C18H32FN7O and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-(1-methylpiperidin-2-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-(1-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129132882
Molecular FormulaC18H32FN7O
Molecular Weight381.50 g/mol
Exact Mass381.27
IUPAC Name2-amino-6-fluoro-N-[4-(1-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCCCC1C1CCNCC1NC(=O)C1C(N)NN2C=C(F)CNC12
InChIInChI=1S/C18H32FN7O/c1-25-7-3-2-4-14(25)12-5-6-21-9-13(12)23-18(27)15-16(20)24-26-10-11(19)8-22-17(15)26/h10,12-17,21-22,24H,2-9,20H2,1H3,(H,23,27)
InChIKeyGKOZHHUIHJXYQP-UHFFFAOYSA-N
XLogP-0.97
TPSA97.69 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 5-0.97
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-methylpiperidin-2-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-(1-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129132882) is 2-amino-6-fluoro-N-[4-(1-methylpiperidin-2-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-(1-methylpiperidin-2-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-(1-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCCCC1C1CCNCC1NC(=O)C1C(N)NN2C=C(F)CNC12.
What is the InChIKey of 2-amino-6-fluoro-N-[4-(1-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GKOZHHUIHJXYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32FN7O/c1-25-7-3-2-4-14(25)12-5-6-21-9-13(12)23-18(27)15-16(20)24-26-10-11(19)8-22-17(15)26/h10,12-17,21-22,24H,2-9,20H2,1H3,(H,23,27).
What are the key properties of 2-amino-6-fluoro-N-[4-(1-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-(1-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 381.50 g/mol, XLogP of -0.97, 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-methylpiperidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129132882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).