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

C23H24N8O — CID 155925935

IUPAC(3R,4R)-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine
SMILESCn1ccc2c(-c3nc4nccc(-n5cc(N[C@@H]6CCOC[C@@H]6N)cn5)c4[nH]3)cccc21
InChIInChI=1S/C23H24N8O/c1-30-9-6-15-16(3-2-4-19(15)30)22-28-21-20(5-8-25-23(21)29-22)31-12-14(11-26-31)27-18-7-10-32-13-17(18)24/h2-6,8-9,11-12,17-18,27H,7,10,13,24H2,1H3,(H,25,28,29)/t17-,18+/m0/s1
InChIKeyMXZJNQSPLXUEQL-ZWKOTPCHSA-N
MW428.50 g/mol
LogP2.83
Rot. Bonds4

About (3R,4R)-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-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine (PubChem CID 155925935) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is (3R,4R)-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-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine
PubChem CID155925935
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name(3R,4R)-4-N-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine
SMILESCn1ccc2c(-c3nc4nccc(-n5cc(N[C@@H]6CCOC[C@@H]6N)cn5)c4[nH]3)cccc21
InChIInChI=1S/C23H24N8O/c1-30-9-6-15-16(3-2-4-19(15)30)22-28-21-20(5-8-25-23(21)29-22)31-12-14(11-26-31)27-18-7-10-32-13-17(18)24/h2-6,8-9,11-12,17-18,27H,7,10,13,24H2,1H3,(H,25,28,29)/t17-,18+/m0/s1
InChIKeyMXZJNQSPLXUEQL-ZWKOTPCHSA-N
XLogP2.83
TPSA111.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (3R,4R)-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-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-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine (CID 155925935) is (3R,4R)-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-[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-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine is Cn1ccc2c(-c3nc4nccc(-n5cc(N[C@@H]6CCOC[C@@H]6N)cn5)c4[nH]3)cccc21.
What is the InChIKey of (3R,4R)-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 MXZJNQSPLXUEQL-ZWKOTPCHSA-N. The full InChI is InChI=1S/C23H24N8O/c1-30-9-6-15-16(3-2-4-19(15)30)22-28-21-20(5-8-25-23(21)29-22)31-12-14(11-26-31)27-18-7-10-32-13-17(18)24/h2-6,8-9,11-12,17-18,27H,7,10,13,24H2,1H3,(H,25,28,29)/t17-,18+/m0/s1.
What are the key properties of (3R,4R)-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-[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 428.50 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-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 155925935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).