N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide

C27H29N5O — CID 127037289

IUPACN-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCN(CCc2ccccc2)CC1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C27H29N5O/c33-27(26-24-17-22(8-9-25(24)30-31-26)23-7-4-13-28-19-23)29-18-21-11-15-32(16-12-21)14-10-20-5-2-1-3-6-20/h1-9,13,17,19,21H,10-12,14-16,18H2,(H,29,33)(H,30,31)
InChIKeyVYHUTOKCRKIKNU-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.31
Rot. Bonds7

About N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide

N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 127037289) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID127037289
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC NameN-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCN(CCc2ccccc2)CC1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C27H29N5O/c33-27(26-24-17-22(8-9-25(24)30-31-26)23-7-4-13-28-19-23)29-18-21-11-15-32(16-12-21)14-10-20-5-2-1-3-6-20/h1-9,13,17,19,21H,10-12,14-16,18H2,(H,29,33)(H,30,31)
InChIKeyVYHUTOKCRKIKNU-UHFFFAOYSA-N
XLogP4.31
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (CID 127037289) is N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is O=C(NCC1CCN(CCc2ccccc2)CC1)c1n[nH]c2ccc(-c3cccnc3)cc12.
What is the InChIKey of N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is VYHUTOKCRKIKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c33-27(26-24-17-22(8-9-25(24)30-31-26)23-7-4-13-28-19-23)29-18-21-11-15-32(16-12-21)14-10-20-5-2-1-3-6-20/h1-9,13,17,19,21H,10-12,14-16,18H2,(H,29,33)(H,30,31).
What are the key properties of N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 127037289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).