3-(2,3-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(hydroxymethyl)piperidin-3-yl]-1H-indazole-5-carboxamide

C29H31FN6O3 — CID 70652362

IUPAC3-(2,3-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(hydroxymethyl)piperidin-3-yl]-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1CC(CO)CC(NC(=O)c2ccc3[nH]nc(C4=CN5CCN=C5C=C4)c3c2)C1
InChIInChI=1S/C29H31FN6O3/c1-39-26-4-2-3-24(30)23(26)16-35-13-18(17-37)11-21(15-35)32-29(38)19-5-7-25-22(12-19)28(34-33-25)20-6-8-27-31-9-10-36(27)14-20/h2-8,12,14,18,21,37H,9-11,13,15-17H2,1H3,(H,32,38)(H,33,34)
InChIKeyGTXGGYMBOHGYMS-UHFFFAOYSA-N
MW530.60 g/mol
LogP2.95
Rot. Bonds7

About 3-(2,3-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(hydroxymethyl)piperidin-3-yl]-1H-indazole-5-carboxamide

3-(2,3-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(hydroxymethyl)piperidin-3-yl]-1H-indazole-5-carboxamide (PubChem CID 70652362) has the molecular formula C29H31FN6O3 and a molecular weight of 530.60 g/mol. Its IUPAC name is 3-(2,3-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(hydroxymethyl)piperidin-3-yl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,3-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(hydroxymethyl)piperidin-3-yl]-1H-indazole-5-carboxamide
PubChem CID70652362
Molecular FormulaC29H31FN6O3
Molecular Weight530.60 g/mol
Exact Mass530.24
IUPAC Name3-(2,3-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(hydroxymethyl)piperidin-3-yl]-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1CC(CO)CC(NC(=O)c2ccc3[nH]nc(C4=CN5CCN=C5C=C4)c3c2)C1
InChIInChI=1S/C29H31FN6O3/c1-39-26-4-2-3-24(30)23(26)16-35-13-18(17-37)11-21(15-35)32-29(38)19-5-7-25-22(12-19)28(34-33-25)20-6-8-27-31-9-10-36(27)14-20/h2-8,12,14,18,21,37H,9-11,13,15-17H2,1H3,(H,32,38)(H,33,34)
InChIKeyGTXGGYMBOHGYMS-UHFFFAOYSA-N
XLogP2.95
TPSA106.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.60
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(hydroxymethyl)piperidin-3-yl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(2,3-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(hydroxymethyl)piperidin-3-yl]-1H-indazole-5-carboxamide (CID 70652362) is 3-(2,3-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(hydroxymethyl)piperidin-3-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(2,3-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(hydroxymethyl)piperidin-3-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(2,3-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(hydroxymethyl)piperidin-3-yl]-1H-indazole-5-carboxamide is COc1cccc(F)c1CN1CC(CO)CC(NC(=O)c2ccc3[nH]nc(C4=CN5CCN=C5C=C4)c3c2)C1.
What is the InChIKey of 3-(2,3-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(hydroxymethyl)piperidin-3-yl]-1H-indazole-5-carboxamide?
The InChIKey is GTXGGYMBOHGYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN6O3/c1-39-26-4-2-3-24(30)23(26)16-35-13-18(17-37)11-21(15-35)32-29(38)19-5-7-25-22(12-19)28(34-33-25)20-6-8-27-31-9-10-36(27)14-20/h2-8,12,14,18,21,37H,9-11,13,15-17H2,1H3,(H,32,38)(H,33,34).
What are the key properties of 3-(2,3-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(hydroxymethyl)piperidin-3-yl]-1H-indazole-5-carboxamide?
3-(2,3-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(hydroxymethyl)piperidin-3-yl]-1H-indazole-5-carboxamide has a molecular weight of 530.60 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(hydroxymethyl)piperidin-3-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 70652362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).