N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-1H-indazole-5-carboxamide

C26H26FN5O2 — CID 56591333

IUPACN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCOc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCN(Cc5ccccc5F)C4)cc23)ccn1
InChIInChI=1S/C26H26FN5O2/c1-34-24-14-17(10-11-28-24)25-21-13-18(8-9-23(21)30-31-25)26(33)29-20-6-4-12-32(16-20)15-19-5-2-3-7-22(19)27/h2-3,5,7-11,13-14,20H,4,6,12,15-16H2,1H3,(H,29,33)(H,30,31)/t20-/m1/s1
InChIKeyNCESPKIIXIBQOV-HXUWFJFHSA-N
MW459.53 g/mol
LogP4.17
Rot. Bonds6

About N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-1H-indazole-5-carboxamide

N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 56591333) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID56591333
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC NameN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCOc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCN(Cc5ccccc5F)C4)cc23)ccn1
InChIInChI=1S/C26H26FN5O2/c1-34-24-14-17(10-11-28-24)25-21-13-18(8-9-23(21)30-31-25)26(33)29-20-6-4-12-32(16-20)15-19-5-2-3-7-22(19)27/h2-3,5,7-11,13-14,20H,4,6,12,15-16H2,1H3,(H,29,33)(H,30,31)/t20-/m1/s1
InChIKeyNCESPKIIXIBQOV-HXUWFJFHSA-N
XLogP4.17
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-1H-indazole-5-carboxamide (CID 56591333) is N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-1H-indazole-5-carboxamide is COc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCN(Cc5ccccc5F)C4)cc23)ccn1.
What is the InChIKey of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is NCESPKIIXIBQOV-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-34-24-14-17(10-11-28-24)25-21-13-18(8-9-23(21)30-31-25)26(33)29-20-6-4-12-32(16-20)15-19-5-2-3-7-22(19)27/h2-3,5,7-11,13-14,20H,4,6,12,15-16H2,1H3,(H,29,33)(H,30,31)/t20-/m1/s1.
What are the key properties of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 56591333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).