2-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-4-cyclopentyl-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile

C25H31N7O — CID 177137281

IUPAC2-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-4-cyclopentyl-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCc1nc2nc(N3CC(C)OC(C(/C=N/C4CC4)=C/N)C3)nc(C3CCCC3)c2cc1C#N
InChIInChI=1S/C25H31N7O/c1-15-13-32(14-22(33-15)19(11-27)12-28-20-7-8-20)25-30-23(17-5-3-4-6-17)21-9-18(10-26)16(2)29-24(21)31-25/h9,11-12,15,17,20,22H,3-8,13-14,27H2,1-2H3/b19-11+,28-12+
InChIKeyXSLFWFAHWPWDFR-MQWMVIGRSA-N
MW445.57 g/mol
LogP3.53
Rot. Bonds5

About 2-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-4-cyclopentyl-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile

2-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-4-cyclopentyl-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 177137281) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is 2-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-4-cyclopentyl-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-4-cyclopentyl-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID177137281
Molecular FormulaC25H31N7O
Molecular Weight445.57 g/mol
Exact Mass445.26
IUPAC Name2-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-4-cyclopentyl-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCc1nc2nc(N3CC(C)OC(C(/C=N/C4CC4)=C/N)C3)nc(C3CCCC3)c2cc1C#N
InChIInChI=1S/C25H31N7O/c1-15-13-32(14-22(33-15)19(11-27)12-28-20-7-8-20)25-30-23(17-5-3-4-6-17)21-9-18(10-26)16(2)29-24(21)31-25/h9,11-12,15,17,20,22H,3-8,13-14,27H2,1-2H3/b19-11+,28-12+
InChIKeyXSLFWFAHWPWDFR-MQWMVIGRSA-N
XLogP3.53
TPSA113.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-4-cyclopentyl-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 177137209
5-[(2R,6R)-2-(1-amino-3-cyclopropyliminoprop-1-en-2-yl)-6-methylmorpholin-4-yl]-7-(4-chloro-2-fluorophenyl)-N-(cyclopropylmethyl)-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 174076176
11-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-13-(4-chloro-2-fluorophenyl)-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177151779
(2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 166121712
2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658562
11-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methyloxan-4-yl]-13-(4-chloro-2-fluorophenyl)-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177152061
5-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzonitrile
CID 107927608
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-formylbenzonitrile
CID 114063310
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine
CID 166121638
4-[2-[[3-amino-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]iminobut-2-en-2-yl]amino]pyrimidin-5-yl]-2-hydroxybenzonitrile
CID 174077878
4-(4-cyclobutyl-7-methylpyrido[2,3-d]pyrimidin-2-yl)morpholine
CID 157044442
6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
CID 116797018

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-4-cyclopentyl-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 2-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-4-cyclopentyl-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile (CID 177137281) is 2-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-4-cyclopentyl-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-4-cyclopentyl-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-4-cyclopentyl-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile is Cc1nc2nc(N3CC(C)OC(C(/C=N/C4CC4)=C/N)C3)nc(C3CCCC3)c2cc1C#N.
What is the InChIKey of 2-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-4-cyclopentyl-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is XSLFWFAHWPWDFR-MQWMVIGRSA-N. The full InChI is InChI=1S/C25H31N7O/c1-15-13-32(14-22(33-15)19(11-27)12-28-20-7-8-20)25-30-23(17-5-3-4-6-17)21-9-18(10-26)16(2)29-24(21)31-25/h9,11-12,15,17,20,22H,3-8,13-14,27H2,1-2H3/b19-11+,28-12+.
What are the key properties of 2-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-4-cyclopentyl-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile?
2-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-4-cyclopentyl-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 445.57 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-4-cyclopentyl-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 177137281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).