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

C16H31FN8O — CID 130279983

IUPAC2-amino-N-[4-(1,3-diazinan-5-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1C1CNCNC1
InChIInChI=1S/C16H31FN8O/c17-10-5-22-15-13(14(18)24-25(15)7-10)16(26)23-12-6-19-2-1-11(12)9-3-20-8-21-4-9/h9-15,19-22,24H,1-8,18H2,(H,23,26)
InChIKeySCXASKVPKNMXCC-UHFFFAOYSA-N
MW370.48 g/mol
LogP-3.16
Rot. Bonds3

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

2-amino-N-[4-(1,3-diazinan-5-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 130279983) has the molecular formula C16H31FN8O and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-amino-N-[4-(1,3-diazinan-5-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(1,3-diazinan-5-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID130279983
Molecular FormulaC16H31FN8O
Molecular Weight370.48 g/mol
Exact Mass370.26
IUPAC Name2-amino-N-[4-(1,3-diazinan-5-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1C1CNCNC1
InChIInChI=1S/C16H31FN8O/c17-10-5-22-15-13(14(18)24-25(15)7-10)16(26)23-12-6-19-2-1-11(12)9-3-20-8-21-4-9/h9-15,19-22,24H,1-8,18H2,(H,23,26)
InChIKeySCXASKVPKNMXCC-UHFFFAOYSA-N
XLogP-3.16
TPSA118.51 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.48
LogP ≤ 5-3.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze 2-amino-N-[4-(1,3-diazinan-5-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1,3-diazinan-5-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-(1,3-diazinan-5-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 130279983) is 2-amino-N-[4-(1,3-diazinan-5-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(1,3-diazinan-5-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-(1,3-diazinan-5-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1C1CNCNC1.
What is the InChIKey of 2-amino-N-[4-(1,3-diazinan-5-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SCXASKVPKNMXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31FN8O/c17-10-5-22-15-13(14(18)24-25(15)7-10)16(26)23-12-6-19-2-1-11(12)9-3-20-8-21-4-9/h9-15,19-22,24H,1-8,18H2,(H,23,26).
What are the key properties of 2-amino-N-[4-(1,3-diazinan-5-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(1,3-diazinan-5-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 370.48 g/mol, XLogP of -3.16, 3 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(1,3-diazinan-5-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 130279983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).