N-[(1S,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C29H32FN7O — CID 66807038

IUPACN-[(1S,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1ncc2cc(-c3n[nH]c4c3CN(C(=O)NC3CC[C@H]5CC[C@@H]3N5Cc3ccccc3F)CC4)ccc21
InChIInChI=1S/C29H32FN7O/c1-35-26-10-6-18(14-20(26)15-31-35)28-22-17-36(13-12-24(22)33-34-28)29(38)32-25-9-7-21-8-11-27(25)37(21)16-19-4-2-3-5-23(19)30/h2-6,10,14-15,21,25,27H,7-9,11-13,16-17H2,1H3,(H,32,38)(H,33,34)/t21-,25?,27-/m0/s1
InChIKeyKJGXPUGZRPKKHZ-LHZXOOEUSA-N
MW513.62 g/mol
LogP4.37
Rot. Bonds4

About N-[(1S,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-[(1S,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 66807038) has the molecular formula C29H32FN7O and a molecular weight of 513.62 g/mol. Its IUPAC name is N-[(1S,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID66807038
Molecular FormulaC29H32FN7O
Molecular Weight513.62 g/mol
Exact Mass513.27
IUPAC NameN-[(1S,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1ncc2cc(-c3n[nH]c4c3CN(C(=O)NC3CC[C@H]5CC[C@@H]3N5Cc3ccccc3F)CC4)ccc21
InChIInChI=1S/C29H32FN7O/c1-35-26-10-6-18(14-20(26)15-31-35)28-22-17-36(13-12-24(22)33-34-28)29(38)32-25-9-7-21-8-11-27(25)37(21)16-19-4-2-3-5-23(19)30/h2-6,10,14-15,21,25,27H,7-9,11-13,16-17H2,1H3,(H,32,38)(H,33,34)/t21-,25?,27-/m0/s1
InChIKeyKJGXPUGZRPKKHZ-LHZXOOEUSA-N
XLogP4.37
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.62
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(1S,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 66807038) is N-[(1S,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(1S,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(1S,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cn1ncc2cc(-c3n[nH]c4c3CN(C(=O)NC3CC[C@H]5CC[C@@H]3N5Cc3ccccc3F)CC4)ccc21.
What is the InChIKey of N-[(1S,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is KJGXPUGZRPKKHZ-LHZXOOEUSA-N. The full InChI is InChI=1S/C29H32FN7O/c1-35-26-10-6-18(14-20(26)15-31-35)28-22-17-36(13-12-24(22)33-34-28)29(38)32-25-9-7-21-8-11-27(25)37(21)16-19-4-2-3-5-23(19)30/h2-6,10,14-15,21,25,27H,7-9,11-13,16-17H2,1H3,(H,32,38)(H,33,34)/t21-,25?,27-/m0/s1.
What are the key properties of N-[(1S,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-[(1S,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 513.62 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 66807038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).