[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]-piperazin-1-ylmethanone

C28H35N7O3 — CID 57441932

IUPAC[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]-piperazin-1-ylmethanone
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc(C(=O)N4CCNCC4)c3)nc2n1
InChIInChI=1S/C28H35N7O3/c1-19-17-37-14-12-34(19)26-23-6-7-24(30-25(23)31-28(32-26)35-13-15-38-18-20(35)2)21-4-3-5-22(16-21)27(36)33-10-8-29-9-11-33/h3-7,16,19-20,29H,8-15,17-18H2,1-2H3/t19-,20-/m0/s1
InChIKeyZZQCLYRKHXGIJY-PMACEKPBSA-N
MW517.63 g/mol
LogP2.19
Rot. Bonds4

About [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]-piperazin-1-ylmethanone

[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]-piperazin-1-ylmethanone (PubChem CID 57441932) has the molecular formula C28H35N7O3 and a molecular weight of 517.63 g/mol. Its IUPAC name is [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]-piperazin-1-ylmethanone
PubChem CID57441932
Molecular FormulaC28H35N7O3
Molecular Weight517.63 g/mol
Exact Mass517.28
IUPAC Name[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]-piperazin-1-ylmethanone
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc(C(=O)N4CCNCC4)c3)nc2n1
InChIInChI=1S/C28H35N7O3/c1-19-17-37-14-12-34(19)26-23-6-7-24(30-25(23)31-28(32-26)35-13-15-38-18-20(35)2)21-4-3-5-22(16-21)27(36)33-10-8-29-9-11-33/h3-7,16,19-20,29H,8-15,17-18H2,1-2H3/t19-,20-/m0/s1
InChIKeyZZQCLYRKHXGIJY-PMACEKPBSA-N
XLogP2.19
TPSA95.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.63
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]-piperazin-1-ylmethanone 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

Vistusertib
CID 25262792
Mti-31
CID 118591386
N-methyl-4-[[4-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]carbamoylamino]benzamide
CID 137641431
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-(2-hydroxyethyl)benzamide
CID 57441994
1-[4-(7-benzoyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea
CID 59239089
ethyl N-[4-(7-benzoyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]carbamate
CID 59239380
3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 71250872
1-[4-[4-(Dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenyl]urea
CID 126752691
6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one
CID 135983984
(2R)-1-[4-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenyl]carbamoylamino]benzoyl]pyrrolidine-2-carboxamide
CID 141519563
(2S)-1-[4-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenyl]carbamoylamino]benzoyl]pyrrolidine-2-carboxamide
CID 141519571
[3-(4-Anilinopyrido[3,2-d]pyrimidin-6-yl)phenyl]-piperazin-1-ylmethanone
CID 151609910

Frequently Asked Questions

What is the IUPAC name of [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]-piperazin-1-ylmethanone (CID 57441932) is [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]-piperazin-1-ylmethanone is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc(C(=O)N4CCNCC4)c3)nc2n1.
What is the InChIKey of [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is ZZQCLYRKHXGIJY-PMACEKPBSA-N. The full InChI is InChI=1S/C28H35N7O3/c1-19-17-37-14-12-34(19)26-23-6-7-24(30-25(23)31-28(32-26)35-13-15-38-18-20(35)2)21-4-3-5-22(16-21)27(36)33-10-8-29-9-11-33/h3-7,16,19-20,29H,8-15,17-18H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]-piperazin-1-ylmethanone?
[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 517.63 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 57441932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).