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

C17H26FN7O2 — CID 90212168

IUPAC2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)Nc1cnccc1O[C@H]1CCCNC1
InChIInChI=1S/C17H26FN7O2/c18-10-6-22-16-14(15(19)24-25(16)9-10)17(26)23-12-8-21-5-3-13(12)27-11-2-1-4-20-7-11/h3,5,8,10-11,14-16,20,22,24H,1-2,4,6-7,9,19H2,(H,23,26)/t10?,11-,14?,15?,16?/m0/s1
InChIKeyGKFSFLBFSZSHQX-MHOADMEVSA-N
MW379.44 g/mol
LogP-0.86
Rot. Bonds4

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

2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90212168) has the molecular formula C17H26FN7O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90212168
Molecular FormulaC17H26FN7O2
Molecular Weight379.44 g/mol
Exact Mass379.21
IUPAC Name2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)Nc1cnccc1O[C@H]1CCCNC1
InChIInChI=1S/C17H26FN7O2/c18-10-6-22-16-14(15(19)24-25(16)9-10)17(26)23-12-8-21-5-3-13(12)27-11-2-1-4-20-7-11/h3,5,8,10-11,14-16,20,22,24H,1-2,4,6-7,9,19H2,(H,23,26)/t10?,11-,14?,15?,16?/m0/s1
InChIKeyGKFSFLBFSZSHQX-MHOADMEVSA-N
XLogP-0.86
TPSA116.57 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 5-0.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]-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-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90212168) is 2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]-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-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]-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-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1NN2CC(F)CNC2C1C(=O)Nc1cnccc1O[C@H]1CCCNC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GKFSFLBFSZSHQX-MHOADMEVSA-N. The full InChI is InChI=1S/C17H26FN7O2/c18-10-6-22-16-14(15(19)24-25(16)9-10)17(26)23-12-8-21-5-3-13(12)27-11-2-1-4-20-7-11/h3,5,8,10-11,14-16,20,22,24H,1-2,4,6-7,9,19H2,(H,23,26)/t10?,11-,14?,15?,16?/m0/s1.
What are the key properties of 2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of -0.86, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90212168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).