N-[(3S,4S)-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide

C27H29N5O2 — CID 70652282

IUPACN-[(3S,4S)-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide
SMILESCC(C)Oc1ccc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CNCC[C@H]4c4ccccc4)cc23)cn1
InChIInChI=1S/C27H29N5O2/c1-17(2)34-25-11-9-20(15-29-25)26-22-14-19(8-10-23(22)31-32-26)27(33)30-24-16-28-13-12-21(24)18-6-4-3-5-7-18/h3-11,14-15,17,21,24,28H,12-13,16H2,1-2H3,(H,30,33)(H,31,32)/t21-,24+/m0/s1
InChIKeyLNADTIOIDHWGGT-XUZZJYLKSA-N
MW455.56 g/mol
LogP4.29
Rot. Bonds6

About N-[(3S,4S)-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide

N-[(3S,4S)-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 70652282) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[(3S,4S)-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID70652282
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC NameN-[(3S,4S)-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide
SMILESCC(C)Oc1ccc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CNCC[C@H]4c4ccccc4)cc23)cn1
InChIInChI=1S/C27H29N5O2/c1-17(2)34-25-11-9-20(15-29-25)26-22-14-19(8-10-23(22)31-32-26)27(33)30-24-16-28-13-12-21(24)18-6-4-3-5-7-18/h3-11,14-15,17,21,24,28H,12-13,16H2,1-2H3,(H,30,33)(H,31,32)/t21-,24+/m0/s1
InChIKeyLNADTIOIDHWGGT-XUZZJYLKSA-N
XLogP4.29
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3S,4S)-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide (CID 70652282) is N-[(3S,4S)-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide is CC(C)Oc1ccc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CNCC[C@H]4c4ccccc4)cc23)cn1.
What is the InChIKey of N-[(3S,4S)-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is LNADTIOIDHWGGT-XUZZJYLKSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-17(2)34-25-11-9-20(15-29-25)26-22-14-19(8-10-23(22)31-32-26)27(33)30-24-16-28-13-12-21(24)18-6-4-3-5-7-18/h3-11,14-15,17,21,24,28H,12-13,16H2,1-2H3,(H,30,33)(H,31,32)/t21-,24+/m0/s1.
What are the key properties of N-[(3S,4S)-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide?
N-[(3S,4S)-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-phenylpiperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 70652282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).