2-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide

C28H23N7O — CID 137112856

IUPAC2-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6cccnc6)cccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C28H23N7O/c1-16(2)28(36)32-19-9-18(13-30-14-19)24-11-22-26(15-31-24)34-35-27(22)25-10-21-20(6-3-7-23(21)33-25)17-5-4-8-29-12-17/h3-16,33H,1-2H3,(H,32,36)(H,34,35)
InChIKeyYZNPYPIDENRTAK-UHFFFAOYSA-N
MW473.54 g/mol
LogP5.82
Rot. Bonds5

About 2-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide

2-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 137112856) has the molecular formula C28H23N7O and a molecular weight of 473.54 g/mol. Its IUPAC name is 2-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
PubChem CID137112856
Molecular FormulaC28H23N7O
Molecular Weight473.54 g/mol
Exact Mass473.20
IUPAC Name2-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6cccnc6)cccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C28H23N7O/c1-16(2)28(36)32-19-9-18(13-30-14-19)24-11-22-26(15-31-24)34-35-27(22)25-10-21-20(6-3-7-23(21)33-25)17-5-4-8-29-12-17/h3-16,33H,1-2H3,(H,32,36)(H,34,35)
InChIKeyYZNPYPIDENRTAK-UHFFFAOYSA-N
XLogP5.82
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of 2-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide (CID 137112856) is 2-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide is CC(C)C(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6cccnc6)cccc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 2-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide?
The InChIKey is YZNPYPIDENRTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O/c1-16(2)28(36)32-19-9-18(13-30-14-19)24-11-22-26(15-31-24)34-35-27(22)25-10-21-20(6-3-7-23(21)33-25)17-5-4-8-29-12-17/h3-16,33H,1-2H3,(H,32,36)(H,34,35).
What are the key properties of 2-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide?
2-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 473.54 g/mol, XLogP of 5.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137112856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).