N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

C27H23N7 — CID 137116798

IUPACN-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
SMILESCC(C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C27H23N7/c1-16(2)31-20-8-19(12-29-13-20)17-5-6-24-22(9-17)27(34-33-24)25-10-21-23(14-30-15-26(21)32-25)18-4-3-7-28-11-18/h3-16,31-32H,1-2H3,(H,33,34)
InChIKeyUTYUJGXBZQXPLV-UHFFFAOYSA-N
MW445.53 g/mol
LogP6.05
Rot. Bonds5

About N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 137116798) has the molecular formula C27H23N7 and a molecular weight of 445.53 g/mol. Its IUPAC name is N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
PubChem CID137116798
Molecular FormulaC27H23N7
Molecular Weight445.53 g/mol
Exact Mass445.20
IUPAC NameN-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
SMILESCC(C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C27H23N7/c1-16(2)31-20-8-19(12-29-13-20)17-5-6-24-22(9-17)27(34-33-24)25-10-21-23(14-30-15-26(21)32-25)18-4-3-7-28-11-18/h3-16,31-32H,1-2H3,(H,33,34)
InChIKeyUTYUJGXBZQXPLV-UHFFFAOYSA-N
XLogP6.05
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The IUPAC name of N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 137116798) is N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.
What is the SMILES notation for N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The canonical SMILES for N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The InChIKey is UTYUJGXBZQXPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7/c1-16(2)31-20-8-19(12-29-13-20)17-5-6-24-22(9-17)27(34-33-24)25-10-21-23(14-30-15-26(21)32-25)18-4-3-7-28-11-18/h3-16,31-32H,1-2H3,(H,33,34).
What are the key properties of N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 445.53 g/mol, XLogP of 6.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 137116798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).