4,5-dimethyl-N-[2-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazolidine-3-carboxamide

C19H22N6O — CID 146012284

IUPAC4,5-dimethyl-N-[2-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazolidine-3-carboxamide
SMILESCc1ccc(-c2cc3cc(NC(=O)C4NNC(C)C4C)cnc3[nH]2)cn1
InChIInChI=1S/C19H22N6O/c1-10-4-5-13(8-20-10)16-7-14-6-15(9-21-18(14)23-16)22-19(26)17-11(2)12(3)24-25-17/h4-9,11-12,17,24-25H,1-3H3,(H,21,23)(H,22,26)
InChIKeyQBQDGMZDCHVYGD-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.37
Rot. Bonds3

About 4,5-dimethyl-N-[2-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazolidine-3-carboxamide

4,5-dimethyl-N-[2-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazolidine-3-carboxamide (PubChem CID 146012284) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazolidine-3-carboxamide
PubChem CID146012284
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4,5-dimethyl-N-[2-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazolidine-3-carboxamide
SMILESCc1ccc(-c2cc3cc(NC(=O)C4NNC(C)C4C)cnc3[nH]2)cn1
InChIInChI=1S/C19H22N6O/c1-10-4-5-13(8-20-10)16-7-14-6-15(9-21-18(14)23-16)22-19(26)17-11(2)12(3)24-25-17/h4-9,11-12,17,24-25H,1-3H3,(H,21,23)(H,22,26)
InChIKeyQBQDGMZDCHVYGD-UHFFFAOYSA-N
XLogP2.37
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazolidine-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[2-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazolidine-3-carboxamide (CID 146012284) is 4,5-dimethyl-N-[2-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[2-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazolidine-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[2-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazolidine-3-carboxamide is Cc1ccc(-c2cc3cc(NC(=O)C4NNC(C)C4C)cnc3[nH]2)cn1.
What is the InChIKey of 4,5-dimethyl-N-[2-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazolidine-3-carboxamide?
The InChIKey is QBQDGMZDCHVYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-10-4-5-13(8-20-10)16-7-14-6-15(9-21-18(14)23-16)22-19(26)17-11(2)12(3)24-25-17/h4-9,11-12,17,24-25H,1-3H3,(H,21,23)(H,22,26).
What are the key properties of 4,5-dimethyl-N-[2-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazolidine-3-carboxamide?
4,5-dimethyl-N-[2-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazolidine-3-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.37, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[2-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 146012284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).