(3R)-1-[[4-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrrol-3-yl]methyl]pyrrolidin-3-ol

C23H26N6O — CID 58513691

IUPAC(3R)-1-[[4-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrrol-3-yl]methyl]pyrrolidin-3-ol
SMILESCc1cn(-c2ccnc(Nc3ccc4c(ccn4C)c3)n2)cc1CN1CC[C@@H](O)C1
InChIInChI=1S/C23H26N6O/c1-16-12-29(14-18(16)13-28-10-7-20(30)15-28)22-5-8-24-23(26-22)25-19-3-4-21-17(11-19)6-9-27(21)2/h3-6,8-9,11-12,14,20,30H,7,10,13,15H2,1-2H3,(H,24,25,26)/t20-/m1/s1
InChIKeyUQSZYGPZIGQEFT-HXUWFJFHSA-N
MW402.50 g/mol
LogP3.38
Rot. Bonds5

About (3R)-1-[[4-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrrol-3-yl]methyl]pyrrolidin-3-ol

(3R)-1-[[4-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrrol-3-yl]methyl]pyrrolidin-3-ol (PubChem CID 58513691) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is (3R)-1-[[4-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrrol-3-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[4-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrrol-3-yl]methyl]pyrrolidin-3-ol
PubChem CID58513691
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name(3R)-1-[[4-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrrol-3-yl]methyl]pyrrolidin-3-ol
SMILESCc1cn(-c2ccnc(Nc3ccc4c(ccn4C)c3)n2)cc1CN1CC[C@@H](O)C1
InChIInChI=1S/C23H26N6O/c1-16-12-29(14-18(16)13-28-10-7-20(30)15-28)22-5-8-24-23(26-22)25-19-3-4-21-17(11-19)6-9-27(21)2/h3-6,8-9,11-12,14,20,30H,7,10,13,15H2,1-2H3,(H,24,25,26)/t20-/m1/s1
InChIKeyUQSZYGPZIGQEFT-HXUWFJFHSA-N
XLogP3.38
TPSA71.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R)-1-[[4-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrrol-3-yl]methyl]pyrrolidin-3-ol 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)-1-[[4-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrrol-3-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[4-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrrol-3-yl]methyl]pyrrolidin-3-ol (CID 58513691) is (3R)-1-[[4-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrrol-3-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[4-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrrol-3-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[4-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrrol-3-yl]methyl]pyrrolidin-3-ol is Cc1cn(-c2ccnc(Nc3ccc4c(ccn4C)c3)n2)cc1CN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[[4-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrrol-3-yl]methyl]pyrrolidin-3-ol?
The InChIKey is UQSZYGPZIGQEFT-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N6O/c1-16-12-29(14-18(16)13-28-10-7-20(30)15-28)22-5-8-24-23(26-22)25-19-3-4-21-17(11-19)6-9-27(21)2/h3-6,8-9,11-12,14,20,30H,7,10,13,15H2,1-2H3,(H,24,25,26)/t20-/m1/s1.
What are the key properties of (3R)-1-[[4-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrrol-3-yl]methyl]pyrrolidin-3-ol?
(3R)-1-[[4-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrrol-3-yl]methyl]pyrrolidin-3-ol has a molecular weight of 402.50 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[4-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrrol-3-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 58513691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).