N-[(3R)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

C26H28N6O2 — CID 56591141

IUPACN-[(3R)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCOc1cccc(CN2CCC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)C2)n1
InChIInChI=1S/C26H28N6O2/c1-17-13-18(10-11-27-17)25-22-14-19(8-9-23(22)30-31-25)26(33)29-21-6-4-12-32(16-21)15-20-5-3-7-24(28-20)34-2/h3,5,7-11,13-14,21H,4,6,12,15-16H2,1-2H3,(H,29,33)(H,30,31)/t21-/m1/s1
InChIKeySXLMXRQNKSENLC-OAQYLSRUSA-N
MW456.55 g/mol
LogP3.73
Rot. Bonds6

About N-[(3R)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

N-[(3R)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 56591141) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[(3R)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID56591141
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC NameN-[(3R)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCOc1cccc(CN2CCC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)C2)n1
InChIInChI=1S/C26H28N6O2/c1-17-13-18(10-11-27-17)25-22-14-19(8-9-23(22)30-31-25)26(33)29-21-6-4-12-32(16-21)15-20-5-3-7-24(28-20)34-2/h3,5,7-11,13-14,21H,4,6,12,15-16H2,1-2H3,(H,29,33)(H,30,31)/t21-/m1/s1
InChIKeySXLMXRQNKSENLC-OAQYLSRUSA-N
XLogP3.73
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 56591141) is N-[(3R)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is COc1cccc(CN2CCC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)C2)n1.
What is the InChIKey of N-[(3R)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is SXLMXRQNKSENLC-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-17-13-18(10-11-27-17)25-22-14-19(8-9-23(22)30-31-25)26(33)29-21-6-4-12-32(16-21)15-20-5-3-7-24(28-20)34-2/h3,5,7-11,13-14,21H,4,6,12,15-16H2,1-2H3,(H,29,33)(H,30,31)/t21-/m1/s1.
What are the key properties of N-[(3R)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[(3R)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 56591141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).