1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one

C27H23N7O — CID 149315700

IUPAC1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
SMILESCn1cc(-c2cnc(N)nc2)c2cc(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)cnc21
InChIInChI=1S/C27H23N7O/c1-33-16-24(21-14-31-27(28)32-15-21)23-10-20(13-30-26(23)33)19-9-18(11-29-12-19)17-4-6-22(7-5-17)34-8-2-3-25(34)35/h4-7,9-16H,2-3,8H2,1H3,(H2,28,31,32)
InChIKeyXZLUJUROTXBENP-UHFFFAOYSA-N
MW461.53 g/mol
LogP4.47
Rot. Bonds4

About 1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one

1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one (PubChem CID 149315700) has the molecular formula C27H23N7O and a molecular weight of 461.53 g/mol. Its IUPAC name is 1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
PubChem CID149315700
Molecular FormulaC27H23N7O
Molecular Weight461.53 g/mol
Exact Mass461.20
IUPAC Name1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
SMILESCn1cc(-c2cnc(N)nc2)c2cc(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)cnc21
InChIInChI=1S/C27H23N7O/c1-33-16-24(21-14-31-27(28)32-15-21)23-10-20(13-30-26(23)33)19-9-18(11-29-12-19)17-4-6-22(7-5-17)34-8-2-3-25(34)35/h4-7,9-16H,2-3,8H2,1H3,(H2,28,31,32)
InChIKeyXZLUJUROTXBENP-UHFFFAOYSA-N
XLogP4.47
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide
CID 147144985
tert-butyl 4-[1-methyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]piperazine-1-carboxylate
CID 155210762
1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 155227317
1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 153264528
1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyridin-2-one
CID 155210706
1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 142612606
1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-6H-pyrazolo[5,4-c]pyridin-7-one
CID 155210783
1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 160634990
1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146702656
1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 146845095
methyl 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxylate
CID 147687173
N,N-dimethyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-7H-cyclopenta[b]pyridine-6-carboxamide
CID 162257714

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one (CID 149315700) is 1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one is Cn1cc(-c2cnc(N)nc2)c2cc(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)cnc21.
What is the InChIKey of 1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one?
The InChIKey is XZLUJUROTXBENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O/c1-33-16-24(21-14-31-27(28)32-15-21)23-10-20(13-30-26(23)33)19-9-18(11-29-12-19)17-4-6-22(7-5-17)34-8-2-3-25(34)35/h4-7,9-16H,2-3,8H2,1H3,(H2,28,31,32).
What are the key properties of 1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one?
1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one has a molecular weight of 461.53 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 149315700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).