2-[2-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C19H19N7O2 — CID 155109148

IUPAC2-[2-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCNc1nc(Nc2ccc(N3CCCC3=O)cc2OC)nc2[nH]cc(C#N)c12
InChIInChI=1S/C19H19N7O2/c1-21-17-16-11(9-20)10-22-18(16)25-19(24-17)23-13-6-5-12(8-14(13)28-2)26-7-3-4-15(26)27/h5-6,8,10H,3-4,7H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyMOBTUTZGYGGLCO-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.75
Rot. Bonds5

About 2-[2-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

2-[2-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 155109148) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-[2-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[2-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID155109148
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name2-[2-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCNc1nc(Nc2ccc(N3CCCC3=O)cc2OC)nc2[nH]cc(C#N)c12
InChIInChI=1S/C19H19N7O2/c1-21-17-16-11(9-20)10-22-18(16)25-19(24-17)23-13-6-5-12(8-14(13)28-2)26-7-3-4-15(26)27/h5-6,8,10H,3-4,7H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyMOBTUTZGYGGLCO-UHFFFAOYSA-N
XLogP2.75
TPSA118.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Lx-7101
CID 56962369
(S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperazine-1-carboxamido)phenyl dimethylcarbamate
CID 44543080
6-(2-Methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
CID 59442302
4-(Cyclohexylamino)-2-[[2-methoxy-4-(2-oxo-1-pyrrolidinyl)phenyl]amino]-7H-pyrrolo[2,3-D]pyrimidine-5-carbonitrile
CID 155118903
4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 155118973
3-[[[4-[(Dimethylamino)methyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]carbonyl]amino]phenyl N,N-dimethylcarbamate
CID 57920205
2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 155118974
1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
CID 11589985
(2S)-N-(3-methoxyphenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 25187803
[3-[[4-(2-methoxyethoxymethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 44481840
N-(3-methoxyphenyl)-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 44542622
2-[4-(4-Acetylpiperazin-1-yl)-2-methoxyanilino]-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carbonitrile
CID 56666509

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 2-[2-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 155109148) is 2-[2-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[2-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[2-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is CNc1nc(Nc2ccc(N3CCCC3=O)cc2OC)nc2[nH]cc(C#N)c12.
What is the InChIKey of 2-[2-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is MOBTUTZGYGGLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-21-17-16-11(9-20)10-22-18(16)25-19(24-17)23-13-6-5-12(8-14(13)28-2)26-7-3-4-15(26)27/h5-6,8,10H,3-4,7H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 2-[2-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
2-[2-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 377.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 155109148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).