N,1-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide

C18H21N5O — CID 156587065

IUPACN,1-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)c1ccc2ccn(C)c2n1
InChIInChI=1S/C18H21N5O/c1-22-10-9-12-7-8-15(19-17(12)22)18(24)23(2)11-16-13-5-3-4-6-14(13)20-21-16/h7-10H,3-6,11H2,1-2H3,(H,20,21)
InChIKeyZLVGHVOTBZCWON-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.45
Rot. Bonds3

About N,1-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide

N,1-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 156587065) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N,1-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID156587065
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN,1-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)c1ccc2ccn(C)c2n1
InChIInChI=1S/C18H21N5O/c1-22-10-9-12-7-8-15(19-17(12)22)18(24)23(2)11-16-13-5-3-4-6-14(13)20-21-16/h7-10H,3-6,11H2,1-2H3,(H,20,21)
InChIKeyZLVGHVOTBZCWON-UHFFFAOYSA-N
XLogP2.45
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of N,1-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide (CID 156587065) is N,1-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for N,1-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide is CN(Cc1n[nH]c2c1CCCC2)C(=O)c1ccc2ccn(C)c2n1.
What is the InChIKey of N,1-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is ZLVGHVOTBZCWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-22-10-9-12-7-8-15(19-17(12)22)18(24)23(2)11-16-13-5-3-4-6-14(13)20-21-16/h7-10H,3-6,11H2,1-2H3,(H,20,21).
What are the key properties of N,1-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
N,1-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 156587065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).