N-[(1S,2R)-2-phenylcyclopropyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C28H29N5O — CID 130368469

IUPACN-[(1S,2R)-2-phenylcyclopropyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(N[C@H]1C[C@@H]1c1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C28H29N5O/c34-28(30-26-15-23(26)20-7-3-1-4-8-20)27-24-14-21(9-10-25(24)31-32-27)22-13-19(16-29-17-22)18-33-11-5-2-6-12-33/h1,3-4,7-10,13-14,16-17,23,26H,2,5-6,11-12,15,18H2,(H,30,34)(H,31,32)/t23-,26+/m1/s1
InChIKeyIRPXEKYAMSRCMG-BVAGGSTKSA-N
MW451.57 g/mol
LogP4.90
Rot. Bonds6

About N-[(1S,2R)-2-phenylcyclopropyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-[(1S,2R)-2-phenylcyclopropyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 130368469) has the molecular formula C28H29N5O and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[(1S,2R)-2-phenylcyclopropyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-phenylcyclopropyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID130368469
Molecular FormulaC28H29N5O
Molecular Weight451.57 g/mol
Exact Mass451.24
IUPAC NameN-[(1S,2R)-2-phenylcyclopropyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(N[C@H]1C[C@@H]1c1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C28H29N5O/c34-28(30-26-15-23(26)20-7-3-1-4-8-20)27-24-14-21(9-10-25(24)31-32-27)22-13-19(16-29-17-22)18-33-11-5-2-6-12-33/h1,3-4,7-10,13-14,16-17,23,26H,2,5-6,11-12,15,18H2,(H,30,34)(H,31,32)/t23-,26+/m1/s1
InChIKeyIRPXEKYAMSRCMG-BVAGGSTKSA-N
XLogP4.90
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-phenylcyclopropyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-phenylcyclopropyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 130368469) is N-[(1S,2R)-2-phenylcyclopropyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-phenylcyclopropyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-phenylcyclopropyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(N[C@H]1C[C@@H]1c1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.
What is the InChIKey of N-[(1S,2R)-2-phenylcyclopropyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is IRPXEKYAMSRCMG-BVAGGSTKSA-N. The full InChI is InChI=1S/C28H29N5O/c34-28(30-26-15-23(26)20-7-3-1-4-8-20)27-24-14-21(9-10-25(24)31-32-27)22-13-19(16-29-17-22)18-33-11-5-2-6-12-33/h1,3-4,7-10,13-14,16-17,23,26H,2,5-6,11-12,15,18H2,(H,30,34)(H,31,32)/t23-,26+/m1/s1.
What are the key properties of N-[(1S,2R)-2-phenylcyclopropyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-[(1S,2R)-2-phenylcyclopropyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-phenylcyclopropyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 130368469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).