N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide

C25H29N7O3 — CID 121249918

IUPACN-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4cccc(NC(=O)N5CC(OC(C)(C)C)C5)c4CO)c3[nH]2)cn1
InChIInChI=1S/C25H29N7O3/c1-25(2,3)35-16-12-32(13-16)24(34)28-20-7-5-6-17(19(20)14-33)18-8-9-26-23-21(18)29-22(30-23)15-10-27-31(4)11-15/h5-11,16,33H,12-14H2,1-4H3,(H,28,34)(H,26,29,30)
InChIKeyNUTVOJJDIGVJJB-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.55
Rot. Bonds5

About N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide

N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide (PubChem CID 121249918) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide
PubChem CID121249918
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC NameN-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4cccc(NC(=O)N5CC(OC(C)(C)C)C5)c4CO)c3[nH]2)cn1
InChIInChI=1S/C25H29N7O3/c1-25(2,3)35-16-12-32(13-16)24(34)28-20-7-5-6-17(19(20)14-33)18-8-9-26-23-21(18)29-22(30-23)15-10-27-31(4)11-15/h5-11,16,33H,12-14H2,1-4H3,(H,28,34)(H,26,29,30)
InChIKeyNUTVOJJDIGVJJB-UHFFFAOYSA-N
XLogP3.55
TPSA121.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide (CID 121249918) is N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide is Cn1cc(-c2nc3nccc(-c4cccc(NC(=O)N5CC(OC(C)(C)C)C5)c4CO)c3[nH]2)cn1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide?
The InChIKey is NUTVOJJDIGVJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-25(2,3)35-16-12-32(13-16)24(34)28-20-7-5-6-17(19(20)14-33)18-8-9-26-23-21(18)29-22(30-23)15-10-27-31(4)11-15/h5-11,16,33H,12-14H2,1-4H3,(H,28,34)(H,26,29,30).
What are the key properties of N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide?
N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide is sourced from PubChem (CID 121249918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).