3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide

C27H27N5O2 — CID 70652323

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide
SMILESO=C(N[C@@H]1CCCN(Cc2ccccn2)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1
InChIInChI=1S/C27H27N5O2/c33-27(29-22-5-3-12-32(17-22)16-21-4-1-2-11-28-21)20-6-8-24-23(15-20)26(31-30-24)19-7-9-25-18(14-19)10-13-34-25/h1-2,4,6-9,11,14-15,22H,3,5,10,12-13,16-17H2,(H,29,33)(H,30,31)/t22-/m1/s1
InChIKeyZCZAPDGEEKDUMM-JOCHJYFZSA-N
MW453.55 g/mol
LogP3.95
Rot. Bonds5

About 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide

3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide (PubChem CID 70652323) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide
PubChem CID70652323
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide
SMILESO=C(N[C@@H]1CCCN(Cc2ccccn2)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1
InChIInChI=1S/C27H27N5O2/c33-27(29-22-5-3-12-32(17-22)16-21-4-1-2-11-28-21)20-6-8-24-23(15-20)26(31-30-24)19-7-9-25-18(14-19)10-13-34-25/h1-2,4,6-9,11,14-15,22H,3,5,10,12-13,16-17H2,(H,29,33)(H,30,31)/t22-/m1/s1
InChIKeyZCZAPDGEEKDUMM-JOCHJYFZSA-N
XLogP3.95
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide (CID 70652323) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide is O=C(N[C@@H]1CCCN(Cc2ccccn2)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide?
The InChIKey is ZCZAPDGEEKDUMM-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H27N5O2/c33-27(29-22-5-3-12-32(17-22)16-21-4-1-2-11-28-21)20-6-8-24-23(15-20)26(31-30-24)19-7-9-25-18(14-19)10-13-34-25/h1-2,4,6-9,11,14-15,22H,3,5,10,12-13,16-17H2,(H,29,33)(H,30,31)/t22-/m1/s1.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 70652323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).