1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-6-carboxamide

C27H29N5O2 — CID 59746349

IUPAC1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-6-carboxamide
SMILESCN1CCN(c2nn(C)c3cc(C(=O)Nc4ccc(OCc5ccccc5)cc4)ccc23)CC1
InChIInChI=1S/C27H29N5O2/c1-30-14-16-32(17-15-30)26-24-13-8-21(18-25(24)31(2)29-26)27(33)28-22-9-11-23(12-10-22)34-19-20-6-4-3-5-7-20/h3-13,18H,14-17,19H2,1-2H3,(H,28,33)
InChIKeyOKBPCMFJOBEPLP-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.16
Rot. Bonds6

About 1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-6-carboxamide

1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-6-carboxamide (PubChem CID 59746349) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-6-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-6-carboxamide
PubChem CID59746349
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-6-carboxamide
SMILESCN1CCN(c2nn(C)c3cc(C(=O)Nc4ccc(OCc5ccccc5)cc4)ccc23)CC1
InChIInChI=1S/C27H29N5O2/c1-30-14-16-32(17-15-30)26-24-13-8-21(18-25(24)31(2)29-26)27(33)28-22-9-11-23(12-10-22)34-19-20-6-4-3-5-7-20/h3-13,18H,14-17,19H2,1-2H3,(H,28,33)
InChIKeyOKBPCMFJOBEPLP-UHFFFAOYSA-N
XLogP4.16
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-6-carboxamide?
The IUPAC name of 1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-6-carboxamide (CID 59746349) is 1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-6-carboxamide.
What is the SMILES notation for 1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-6-carboxamide?
The canonical SMILES for 1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-6-carboxamide is CN1CCN(c2nn(C)c3cc(C(=O)Nc4ccc(OCc5ccccc5)cc4)ccc23)CC1.
What is the InChIKey of 1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-6-carboxamide?
The InChIKey is OKBPCMFJOBEPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-30-14-16-32(17-15-30)26-24-13-8-21(18-25(24)31(2)29-26)27(33)28-22-9-11-23(12-10-22)34-19-20-6-4-3-5-7-20/h3-13,18H,14-17,19H2,1-2H3,(H,28,33).
What are the key properties of 1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-6-carboxamide?
1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-6-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-6-carboxamide is sourced from PubChem (CID 59746349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).