6-methyl-N-[1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazol-4-yl]pyridine-2-carboxamide

C22H18N6O — CID 44540496

IUPAC6-methyl-N-[1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazol-4-yl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc(-c3ccnc4[nH]ccc34)cc3c2cnn3C)n1
InChIInChI=1S/C22H18N6O/c1-13-4-3-5-18(26-13)22(29)27-19-10-14(11-20-17(19)12-25-28(20)2)15-6-8-23-21-16(15)7-9-24-21/h3-12H,1-2H3,(H,23,24)(H,27,29)
InChIKeyFNOVCEZILSSBIA-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.07
Rot. Bonds3

About 6-methyl-N-[1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazol-4-yl]pyridine-2-carboxamide

6-methyl-N-[1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazol-4-yl]pyridine-2-carboxamide (PubChem CID 44540496) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 6-methyl-N-[1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazol-4-yl]pyridine-2-carboxamide
PubChem CID44540496
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name6-methyl-N-[1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazol-4-yl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc(-c3ccnc4[nH]ccc34)cc3c2cnn3C)n1
InChIInChI=1S/C22H18N6O/c1-13-4-3-5-18(26-13)22(29)27-19-10-14(11-20-17(19)12-25-28(20)2)15-6-8-23-21-16(15)7-9-24-21/h3-12H,1-2H3,(H,23,24)(H,27,29)
InChIKeyFNOVCEZILSSBIA-UHFFFAOYSA-N
XLogP4.07
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazol-4-yl]pyridine-2-carboxamide (CID 44540496) is 6-methyl-N-[1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazol-4-yl]pyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cc(-c3ccnc4[nH]ccc34)cc3c2cnn3C)n1.
What is the InChIKey of 6-methyl-N-[1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazol-4-yl]pyridine-2-carboxamide?
The InChIKey is FNOVCEZILSSBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-13-4-3-5-18(26-13)22(29)27-19-10-14(11-20-17(19)12-25-28(20)2)15-6-8-23-21-16(15)7-9-24-21/h3-12H,1-2H3,(H,23,24)(H,27,29).
What are the key properties of 6-methyl-N-[1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazol-4-yl]pyridine-2-carboxamide?
6-methyl-N-[1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazol-4-yl]pyridine-2-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 44540496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).