N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indazole-5-carboxamide

C27H26FN7O2 — CID 70652356

IUPACN-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccn5ncnc5c4)c3c2)C1
InChIInChI=1S/C27H26FN7O2/c1-37-24-6-2-5-22(28)21(24)15-34-10-3-4-19(14-34)31-27(36)18-7-8-23-20(12-18)26(33-32-23)17-9-11-35-25(13-17)29-16-30-35/h2,5-9,11-13,16,19H,3-4,10,14-15H2,1H3,(H,31,36)(H,32,33)/t19-/m1/s1
InChIKeyWPZSXUXPJZUZFT-LJQANCHMSA-N
MW499.55 g/mol
LogP3.81
Rot. Bonds6

About N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indazole-5-carboxamide

N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indazole-5-carboxamide (PubChem CID 70652356) has the molecular formula C27H26FN7O2 and a molecular weight of 499.55 g/mol. Its IUPAC name is N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indazole-5-carboxamide
PubChem CID70652356
Molecular FormulaC27H26FN7O2
Molecular Weight499.55 g/mol
Exact Mass499.21
IUPAC NameN-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccn5ncnc5c4)c3c2)C1
InChIInChI=1S/C27H26FN7O2/c1-37-24-6-2-5-22(28)21(24)15-34-10-3-4-19(14-34)31-27(36)18-7-8-23-20(12-18)26(33-32-23)17-9-11-35-25(13-17)29-16-30-35/h2,5-9,11-13,16,19H,3-4,10,14-15H2,1H3,(H,31,36)(H,32,33)/t19-/m1/s1
InChIKeyWPZSXUXPJZUZFT-LJQANCHMSA-N
XLogP3.81
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indazole-5-carboxamide (CID 70652356) is N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indazole-5-carboxamide is COc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccn5ncnc5c4)c3c2)C1.
What is the InChIKey of N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indazole-5-carboxamide?
The InChIKey is WPZSXUXPJZUZFT-LJQANCHMSA-N. The full InChI is InChI=1S/C27H26FN7O2/c1-37-24-6-2-5-22(28)21(24)15-34-10-3-4-19(14-34)31-27(36)18-7-8-23-20(12-18)26(33-32-23)17-9-11-35-25(13-17)29-16-30-35/h2,5-9,11-13,16,19H,3-4,10,14-15H2,1H3,(H,31,36)(H,32,33)/t19-/m1/s1.
What are the key properties of N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indazole-5-carboxamide?
N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indazole-5-carboxamide has a molecular weight of 499.55 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 70652356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).