4-chloro-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide

C21H19ClN6O3 — CID 59394617

IUPAC4-chloro-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide
SMILESCC(C)c1cc(NC(=O)n2ccc3c(Cl)c(Oc4ncnc5c4CNC5)ccc32)no1
InChIInChI=1S/C21H19ClN6O3/c1-11(2)17-7-18(27-31-17)26-21(29)28-6-5-12-15(28)3-4-16(19(12)22)30-20-13-8-23-9-14(13)24-10-25-20/h3-7,10-11,23H,8-9H2,1-2H3,(H,26,27,29)
InChIKeyQXEURSHPNILVJO-UHFFFAOYSA-N
MW438.88 g/mol
LogP4.67
Rot. Bonds4

About 4-chloro-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide

4-chloro-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide (PubChem CID 59394617) has the molecular formula C21H19ClN6O3 and a molecular weight of 438.88 g/mol. Its IUPAC name is 4-chloro-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide.

Molecular Properties

Compound Name4-chloro-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide
PubChem CID59394617
Molecular FormulaC21H19ClN6O3
Molecular Weight438.88 g/mol
Exact Mass438.12
IUPAC Name4-chloro-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide
SMILESCC(C)c1cc(NC(=O)n2ccc3c(Cl)c(Oc4ncnc5c4CNC5)ccc32)no1
InChIInChI=1S/C21H19ClN6O3/c1-11(2)17-7-18(27-31-17)26-21(29)28-6-5-12-15(28)3-4-16(19(12)22)30-20-13-8-23-9-14(13)24-10-25-20/h3-7,10-11,23H,8-9H2,1-2H3,(H,26,27,29)
InChIKeyQXEURSHPNILVJO-UHFFFAOYSA-N
XLogP4.67
TPSA107.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.88
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-chloro-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide with MolForge

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394335
N-(5-cyclohexyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394511
4-methyl-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide
CID 129045494
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)pyrrolo[2,3-b]pyridine-1-carboxamide
CID 127045352
4-fluoro-5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394775
5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-c]azepin-4-yloxy)-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide
CID 59394140
5-[(6-acetyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide
CID 59394015
5-[[(6S)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide
CID 59394725
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394170
4-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)carbamoyl]indol-5-yl]oxy-N-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 129045028
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[(6S)-7-ethyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide
CID 59394616
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394589

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide?
The IUPAC name of 4-chloro-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide (CID 59394617) is 4-chloro-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide.
What is the SMILES notation for 4-chloro-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide?
The canonical SMILES for 4-chloro-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide is CC(C)c1cc(NC(=O)n2ccc3c(Cl)c(Oc4ncnc5c4CNC5)ccc32)no1.
What is the InChIKey of 4-chloro-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide?
The InChIKey is QXEURSHPNILVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O3/c1-11(2)17-7-18(27-31-17)26-21(29)28-6-5-12-15(28)3-4-16(19(12)22)30-20-13-8-23-9-14(13)24-10-25-20/h3-7,10-11,23H,8-9H2,1-2H3,(H,26,27,29).
What are the key properties of 4-chloro-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide?
4-chloro-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide has a molecular weight of 438.88 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-propan-2-yl-1,2-oxazol-3-yl)indole-1-carboxamide is sourced from PubChem (CID 59394617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).