N,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide

C26H29N5O2 — CID 67262265

IUPACN,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide
SMILESCN(C(=O)c1cccc2c1cnn2C)[C@H](CCNC(=O)c1cccn1C)Cc1ccccc1
InChIInChI=1S/C26H29N5O2/c1-29-16-8-13-24(29)25(32)27-15-14-20(17-19-9-5-4-6-10-19)30(2)26(33)21-11-7-12-23-22(21)18-28-31(23)3/h4-13,16,18,20H,14-15,17H2,1-3H3,(H,27,32)/t20-/m1/s1
InChIKeyIYJUEVXCMRTGGK-HXUWFJFHSA-N
MW443.55 g/mol
LogP3.42
Rot. Bonds8

About N,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide

N,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide (PubChem CID 67262265) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide
PubChem CID67262265
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide
SMILESCN(C(=O)c1cccc2c1cnn2C)[C@H](CCNC(=O)c1cccn1C)Cc1ccccc1
InChIInChI=1S/C26H29N5O2/c1-29-16-8-13-24(29)25(32)27-15-14-20(17-19-9-5-4-6-10-19)30(2)26(33)21-11-7-12-23-22(21)18-28-31(23)3/h4-13,16,18,20H,14-15,17H2,1-3H3,(H,27,32)/t20-/m1/s1
InChIKeyIYJUEVXCMRTGGK-HXUWFJFHSA-N
XLogP3.42
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide (CID 67262265) is N,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide is CN(C(=O)c1cccc2c1cnn2C)[C@H](CCNC(=O)c1cccn1C)Cc1ccccc1.
What is the InChIKey of N,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide?
The InChIKey is IYJUEVXCMRTGGK-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-29-16-8-13-24(29)25(32)27-15-14-20(17-19-9-5-4-6-10-19)30(2)26(33)21-11-7-12-23-22(21)18-28-31(23)3/h4-13,16,18,20H,14-15,17H2,1-3H3,(H,27,32)/t20-/m1/s1.
What are the key properties of N,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide?
N,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide is sourced from PubChem (CID 67262265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).