6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide

C23H26N6O — CID 137369806

IUPAC6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)NC(=O)c1cc2ccc(N3CCC(Nc4ccc5[nH]ncc5c4)C3)cc2[nH]1
InChIInChI=1S/C23H26N6O/c1-14(2)25-23(30)22-10-15-3-5-19(11-21(15)27-22)29-8-7-18(13-29)26-17-4-6-20-16(9-17)12-24-28-20/h3-6,9-12,14,18,26-27H,7-8,13H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyRUORGCNJRBEZNZ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.87
Rot. Bonds5

About 6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide

6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 137369806) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide
PubChem CID137369806
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)NC(=O)c1cc2ccc(N3CCC(Nc4ccc5[nH]ncc5c4)C3)cc2[nH]1
InChIInChI=1S/C23H26N6O/c1-14(2)25-23(30)22-10-15-3-5-19(11-21(15)27-22)29-8-7-18(13-29)26-17-4-6-20-16(9-17)12-24-28-20/h3-6,9-12,14,18,26-27H,7-8,13H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyRUORGCNJRBEZNZ-UHFFFAOYSA-N
XLogP3.87
TPSA88.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 62976152
N-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane
CID 143370588
6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 137381903
2-amino-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 117073155
2-amino-2-(4-bromophenyl)-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]ethanone
CID 117073147
2-(4-bromophenyl)-2-hydroxy-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]ethanone
CID 117073106
N-[1-(2-fluorophenyl)piperidin-3-yl]-1H-indazol-5-amine
CID 143370381
2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 117073159
N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022540
(2R)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone
CID 117073044
[3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone
CID 117073836
N-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022546

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide?
The IUPAC name of 6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide (CID 137369806) is 6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for 6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide is CC(C)NC(=O)c1cc2ccc(N3CCC(Nc4ccc5[nH]ncc5c4)C3)cc2[nH]1.
What is the InChIKey of 6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide?
The InChIKey is RUORGCNJRBEZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-14(2)25-23(30)22-10-15-3-5-19(11-21(15)27-22)29-8-7-18(13-29)26-17-4-6-20-16(9-17)12-24-28-20/h3-6,9-12,14,18,26-27H,7-8,13H2,1-2H3,(H,24,28)(H,25,30).
What are the key properties of 6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide?
6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.87, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 137369806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).