4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide

C17H18N6O2 — CID 146570466

IUPAC4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
SMILESCc1nc(C(N)=O)ncc1-c1c[nH]c2ncc(N3CCOCC3)cc12
InChIInChI=1S/C17H18N6O2/c1-10-13(8-21-17(22-10)15(18)24)14-9-20-16-12(14)6-11(7-19-16)23-2-4-25-5-3-23/h6-9H,2-5H2,1H3,(H2,18,24)(H,19,20)
InChIKeyOLWYHFYCEOSUPU-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.26
Rot. Bonds3

About 4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide

4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide (PubChem CID 146570466) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
PubChem CID146570466
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
SMILESCc1nc(C(N)=O)ncc1-c1c[nH]c2ncc(N3CCOCC3)cc12
InChIInChI=1S/C17H18N6O2/c1-10-13(8-21-17(22-10)15(18)24)14-9-20-16-12(14)6-11(7-19-16)23-2-4-25-5-3-23/h6-9H,2-5H2,1H3,(H2,18,24)(H,19,20)
InChIKeyOLWYHFYCEOSUPU-UHFFFAOYSA-N
XLogP1.26
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 146570423
5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide
CID 146610083
5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide
CID 146610079
N-[1-(1-iodo-2-methyl-2,3-dihydropyrrol-4-yl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 163794001
N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 146570418
6-methyl-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexa-2,4-dien-1-one
CID 170023172
[5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 146570463
3-(2,4-dimethylpyrimidin-5-yl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;formamide
CID 175084816
5-[5-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1-phenylethyl)pyrimidine-2-carboxamide
CID 146570468
1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyridin-2-ol
CID 135332619
4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
CID 59811985
[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone
CID 146274494

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide?
The IUPAC name of 4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide (CID 146570466) is 4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide.
What is the SMILES notation for 4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide?
The canonical SMILES for 4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide is Cc1nc(C(N)=O)ncc1-c1c[nH]c2ncc(N3CCOCC3)cc12.
What is the InChIKey of 4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide?
The InChIKey is OLWYHFYCEOSUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-10-13(8-21-17(22-10)15(18)24)14-9-20-16-12(14)6-11(7-19-16)23-2-4-25-5-3-23/h6-9H,2-5H2,1H3,(H2,18,24)(H,19,20).
What are the key properties of 4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide?
4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide is sourced from PubChem (CID 146570466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).