N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-methoxy-N-methylbenzamide

C23H19N5O2 — CID 136961415

IUPACN-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)c2ccc3[nH]c(-c4n[nH]c5ccccc45)cc3n2)c1
InChIInChI=1S/C23H19N5O2/c1-28(23(29)14-6-5-7-15(12-14)30-2)21-11-10-18-19(25-21)13-20(24-18)22-16-8-3-4-9-17(16)26-27-22/h3-13,24H,1-2H3,(H,26,27)
InChIKeyMOKNTTMQTZSBKK-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.39
Rot. Bonds4

About N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-methoxy-N-methylbenzamide

N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-methoxy-N-methylbenzamide (PubChem CID 136961415) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-methoxy-N-methylbenzamide
PubChem CID136961415
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC NameN-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)c2ccc3[nH]c(-c4n[nH]c5ccccc45)cc3n2)c1
InChIInChI=1S/C23H19N5O2/c1-28(23(29)14-6-5-7-15(12-14)30-2)21-11-10-18-19(25-21)13-20(24-18)22-16-8-3-4-9-17(16)26-27-22/h3-13,24H,1-2H3,(H,26,27)
InChIKeyMOKNTTMQTZSBKK-UHFFFAOYSA-N
XLogP4.39
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-methoxy-N-methylbenzamide?
The IUPAC name of N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-methoxy-N-methylbenzamide (CID 136961415) is N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-methoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)c2ccc3[nH]c(-c4n[nH]c5ccccc45)cc3n2)c1.
What is the InChIKey of N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-methoxy-N-methylbenzamide?
The InChIKey is MOKNTTMQTZSBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-28(23(29)14-6-5-7-15(12-14)30-2)21-11-10-18-19(25-21)13-20(24-18)22-16-8-3-4-9-17(16)26-27-22/h3-13,24H,1-2H3,(H,26,27).
What are the key properties of N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-methoxy-N-methylbenzamide?
N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-methoxy-N-methylbenzamide has a molecular weight of 397.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 136961415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).