1-[[3-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol

C21H23N7O — CID 71698375

IUPAC1-[[3-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol
SMILESCc1nn(-c2ccnc(Nc3ccc4c(ccn4C)c3)n2)cc1CN1CC(O)C1
InChIInChI=1S/C21H23N7O/c1-14-16(10-27-12-18(29)13-27)11-28(25-14)20-5-7-22-21(24-20)23-17-3-4-19-15(9-17)6-8-26(19)2/h3-9,11,18,29H,10,12-13H2,1-2H3,(H,22,23,24)
InChIKeyJHTUZYLSANCWSB-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.38
Rot. Bonds5

About 1-[[3-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol

1-[[3-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol (PubChem CID 71698375) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[[3-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[3-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol
PubChem CID71698375
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name1-[[3-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol
SMILESCc1nn(-c2ccnc(Nc3ccc4c(ccn4C)c3)n2)cc1CN1CC(O)C1
InChIInChI=1S/C21H23N7O/c1-14-16(10-27-12-18(29)13-27)11-28(25-14)20-5-7-22-21(24-20)23-17-3-4-19-15(9-17)6-8-26(19)2/h3-9,11,18,29H,10,12-13H2,1-2H3,(H,22,23,24)
InChIKeyJHTUZYLSANCWSB-UHFFFAOYSA-N
XLogP2.38
TPSA84.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[3-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol with MolForge

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Related Compounds

1-[(1-{2-[(3-Chloro-1,2-Dimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-3-Methyl-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698376
1-[(1-{2-[(3-Chloro-1-Methyl-1h-Indazol-5-Yl)amino]pyrimidin-4-Yl}-3-Methyl-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698643
N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 10111591
4-Amino-6-{[1-(3-Fluorobenzyl)-1h-Indazol-5-Yl]amino}pyrimidine-5-Carbaldehyde O-(2-Methoxyethyl)oxime
CID 17747343
Trans-4-{[4-(1h-Indazol-1-Yl)pyrimidin-2-Yl]amino}cyclohexanol
CID 24957306
1-[(3-Methyl-1-{2-[(1,2,3-Trimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698379
1-[(3-Methyl-1-{2-[(1-Methyl-1h-Indazol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698642
Il-94
CID 73348907
1-[(1-{2-[(3,5-Dimethylphenyl)amino]pyrimidin-4-Yl}-3-Methyl-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 102515520
4-[(Isobutyl-methyl-amino)-methyl]-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ol
CID 10477461
(1R,2R)-1-Phenyl-1-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylamino}-propan-2-ol
CID 10527882
1-((1-(2-(3-chloro-1-methyl-1H-indol-5-ylamino)pyrimidin-4-yl)-3-methyl-1H-pyrazol-4-yl)methyl)azetidin-3-ol
CID 71698378

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol?
The IUPAC name of 1-[[3-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol (CID 71698375) is 1-[[3-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[3-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[3-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol is Cc1nn(-c2ccnc(Nc3ccc4c(ccn4C)c3)n2)cc1CN1CC(O)C1.
What is the InChIKey of 1-[[3-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol?
The InChIKey is JHTUZYLSANCWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-14-16(10-27-12-18(29)13-27)11-28(25-14)20-5-7-22-21(24-20)23-17-3-4-19-15(9-17)6-8-26(19)2/h3-9,11,18,29H,10,12-13H2,1-2H3,(H,22,23,24).
What are the key properties of 1-[[3-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol?
1-[[3-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol has a molecular weight of 389.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methyl-1-[2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol is sourced from PubChem (CID 71698375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).