2-amino-6-fluoro-N-(3-fluoro-4-piperidin-1-yl-1-azaspiro[5.8]tetradecan-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H41F2N7O — CID 137299948

IUPAC2-amino-6-fluoro-N-(3-fluoro-4-piperidin-1-yl-1-azaspiro[5.8]tetradecan-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2c(c1C(=O)NC1C(N3CCCCC3)C(F)CNC13CCCCCCCC3)NCC(F)C2
InChIInChI=1S/C25H41F2N7O/c26-17-14-29-23-19(22(28)32-34(23)16-17)24(35)31-21-20(33-12-8-5-9-13-33)18(27)15-30-25(21)10-6-3-1-2-4-7-11-25/h17-18,20-21,29-30H,1-16H2,(H2,28,32)(H,31,35)
InChIKeyRKIYIXRIPQZLIO-UHFFFAOYSA-N
MW493.65 g/mol
LogP3.00
Rot. Bonds3

About 2-amino-6-fluoro-N-(3-fluoro-4-piperidin-1-yl-1-azaspiro[5.8]tetradecan-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-(3-fluoro-4-piperidin-1-yl-1-azaspiro[5.8]tetradecan-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137299948) has the molecular formula C25H41F2N7O and a molecular weight of 493.65 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(3-fluoro-4-piperidin-1-yl-1-azaspiro[5.8]tetradecan-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(3-fluoro-4-piperidin-1-yl-1-azaspiro[5.8]tetradecan-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137299948
Molecular FormulaC25H41F2N7O
Molecular Weight493.65 g/mol
Exact Mass493.33
IUPAC Name2-amino-6-fluoro-N-(3-fluoro-4-piperidin-1-yl-1-azaspiro[5.8]tetradecan-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2c(c1C(=O)NC1C(N3CCCCC3)C(F)CNC13CCCCCCCC3)NCC(F)C2
InChIInChI=1S/C25H41F2N7O/c26-17-14-29-23-19(22(28)32-34(23)16-17)24(35)31-21-20(33-12-8-5-9-13-33)18(27)15-30-25(21)10-6-3-1-2-4-7-11-25/h17-18,20-21,29-30H,1-16H2,(H2,28,32)(H,31,35)
InChIKeyRKIYIXRIPQZLIO-UHFFFAOYSA-N
XLogP3.00
TPSA100.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(3-fluoro-4-piperidin-1-yl-1-azaspiro[5.8]tetradecan-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-(3-fluoro-4-piperidin-1-yl-1-azaspiro[5.8]tetradecan-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137299948) is 2-amino-6-fluoro-N-(3-fluoro-4-piperidin-1-yl-1-azaspiro[5.8]tetradecan-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(3-fluoro-4-piperidin-1-yl-1-azaspiro[5.8]tetradecan-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-(3-fluoro-4-piperidin-1-yl-1-azaspiro[5.8]tetradecan-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2c(c1C(=O)NC1C(N3CCCCC3)C(F)CNC13CCCCCCCC3)NCC(F)C2.
What is the InChIKey of 2-amino-6-fluoro-N-(3-fluoro-4-piperidin-1-yl-1-azaspiro[5.8]tetradecan-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RKIYIXRIPQZLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41F2N7O/c26-17-14-29-23-19(22(28)32-34(23)16-17)24(35)31-21-20(33-12-8-5-9-13-33)18(27)15-30-25(21)10-6-3-1-2-4-7-11-25/h17-18,20-21,29-30H,1-16H2,(H2,28,32)(H,31,35).
What are the key properties of 2-amino-6-fluoro-N-(3-fluoro-4-piperidin-1-yl-1-azaspiro[5.8]tetradecan-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-(3-fluoro-4-piperidin-1-yl-1-azaspiro[5.8]tetradecan-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 493.65 g/mol, XLogP of 3.00, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(3-fluoro-4-piperidin-1-yl-1-azaspiro[5.8]tetradecan-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137299948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).