6-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]pyridine-3-carboxamide

C26H23N7O2 — CID 121249721

IUPAC6-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]pyridine-3-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4cccc(NC(=O)c5ccc(C6CC6)nc5)c4CO)c3[nH]2)cn1
InChIInChI=1S/C26H23N7O2/c1-33-13-17(12-29-33)24-31-23-19(9-10-27-25(23)32-24)18-3-2-4-22(20(18)14-34)30-26(35)16-7-8-21(28-11-16)15-5-6-15/h2-4,7-13,15,34H,5-6,14H2,1H3,(H,30,35)(H,27,31,32)
InChIKeyBRDZVUQIIIVKFV-UHFFFAOYSA-N
MW465.52 g/mol
LogP4.04
Rot. Bonds6

About 6-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]pyridine-3-carboxamide

6-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]pyridine-3-carboxamide (PubChem CID 121249721) has the molecular formula C26H23N7O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]pyridine-3-carboxamide
PubChem CID121249721
Molecular FormulaC26H23N7O2
Molecular Weight465.52 g/mol
Exact Mass465.19
IUPAC Name6-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]pyridine-3-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4cccc(NC(=O)c5ccc(C6CC6)nc5)c4CO)c3[nH]2)cn1
InChIInChI=1S/C26H23N7O2/c1-33-13-17(12-29-33)24-31-23-19(9-10-27-25(23)32-24)18-3-2-4-22(20(18)14-34)30-26(35)16-7-8-21(28-11-16)15-5-6-15/h2-4,7-13,15,34H,5-6,14H2,1H3,(H,30,35)(H,27,31,32)
InChIKeyBRDZVUQIIIVKFV-UHFFFAOYSA-N
XLogP4.04
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]pyridine-3-carboxamide (CID 121249721) is 6-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]pyridine-3-carboxamide is Cn1cc(-c2nc3nccc(-c4cccc(NC(=O)c5ccc(C6CC6)nc5)c4CO)c3[nH]2)cn1.
What is the InChIKey of 6-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is BRDZVUQIIIVKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2/c1-33-13-17(12-29-33)24-31-23-19(9-10-27-25(23)32-24)18-3-2-4-22(20(18)14-34)30-26(35)16-7-8-21(28-11-16)15-5-6-15/h2-4,7-13,15,34H,5-6,14H2,1H3,(H,30,35)(H,27,31,32).
What are the key properties of 6-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]pyridine-3-carboxamide?
6-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 465.52 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121249721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).