(3R,4R)-4-N-methyl-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine

C24H26N8O — CID 162662371

IUPAC(3R,4R)-4-N-methyl-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine
SMILESCN(c1cnn(-c2ccnc3nc(-c4cccc5c4ccn5C)[nH]c23)c1)[C@@H]1CCOC[C@@H]1N
InChIInChI=1S/C24H26N8O/c1-30-10-7-16-17(4-3-5-19(16)30)23-28-22-21(6-9-26-24(22)29-23)32-13-15(12-27-32)31(2)20-8-11-33-14-18(20)25/h3-7,9-10,12-13,18,20H,8,11,14,25H2,1-2H3,(H,26,28,29)/t18-,20+/m0/s1
InChIKeyGWQKVNZOBKJSDZ-AZUAARDMSA-N
MW442.53 g/mol
LogP2.85
Rot. Bonds4

About (3R,4R)-4-N-methyl-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine

(3R,4R)-4-N-methyl-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine (PubChem CID 162662371) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is (3R,4R)-4-N-methyl-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine.

Molecular Properties

Compound Name(3R,4R)-4-N-methyl-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine
PubChem CID162662371
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC Name(3R,4R)-4-N-methyl-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine
SMILESCN(c1cnn(-c2ccnc3nc(-c4cccc5c4ccn5C)[nH]c23)c1)[C@@H]1CCOC[C@@H]1N
InChIInChI=1S/C24H26N8O/c1-30-10-7-16-17(4-3-5-19(16)30)23-28-22-21(6-9-26-24(22)29-23)32-13-15(12-27-32)31(2)20-8-11-33-14-18(20)25/h3-7,9-10,12-13,18,20H,8,11,14,25H2,1-2H3,(H,26,28,29)/t18-,20+/m0/s1
InChIKeyGWQKVNZOBKJSDZ-AZUAARDMSA-N
XLogP2.85
TPSA102.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R,4R)-4-N-methyl-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-N-methyl-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine?
The IUPAC name of (3R,4R)-4-N-methyl-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine (CID 162662371) is (3R,4R)-4-N-methyl-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine.
What is the SMILES notation for (3R,4R)-4-N-methyl-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine?
The canonical SMILES for (3R,4R)-4-N-methyl-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine is CN(c1cnn(-c2ccnc3nc(-c4cccc5c4ccn5C)[nH]c23)c1)[C@@H]1CCOC[C@@H]1N.
What is the InChIKey of (3R,4R)-4-N-methyl-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine?
The InChIKey is GWQKVNZOBKJSDZ-AZUAARDMSA-N. The full InChI is InChI=1S/C24H26N8O/c1-30-10-7-16-17(4-3-5-19(16)30)23-28-22-21(6-9-26-24(22)29-23)32-13-15(12-27-32)31(2)20-8-11-33-14-18(20)25/h3-7,9-10,12-13,18,20H,8,11,14,25H2,1-2H3,(H,26,28,29)/t18-,20+/m0/s1.
What are the key properties of (3R,4R)-4-N-methyl-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine?
(3R,4R)-4-N-methyl-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine has a molecular weight of 442.53 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-N-methyl-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine is sourced from PubChem (CID 162662371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).