N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-4-fluorophenyl]-2-(4-methylpiperazin-1-yl)acetamide

C28H31FN10O2 — CID 73055948

IUPACN-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-4-fluorophenyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(F)c(-c3cnc4c(N5CCOCC5)nc(-c5cnc(N)nc5)nc4c3)c2)CC1
InChIInChI=1S/C28H31FN10O2/c1-37-4-6-38(7-5-37)17-24(40)34-20-2-3-22(29)21(13-20)18-12-23-25(31-14-18)27(39-8-10-41-11-9-39)36-26(35-23)19-15-32-28(30)33-16-19/h2-3,12-16H,4-11,17H2,1H3,(H,34,40)(H2,30,32,33)
InChIKeyGQRFMCHTDDMQQQ-UHFFFAOYSA-N
MW558.62 g/mol
LogP1.89
Rot. Bonds6

About N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-4-fluorophenyl]-2-(4-methylpiperazin-1-yl)acetamide

N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-4-fluorophenyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 73055948) has the molecular formula C28H31FN10O2 and a molecular weight of 558.62 g/mol. Its IUPAC name is N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-4-fluorophenyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-4-fluorophenyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID73055948
Molecular FormulaC28H31FN10O2
Molecular Weight558.62 g/mol
Exact Mass558.26
IUPAC NameN-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-4-fluorophenyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(F)c(-c3cnc4c(N5CCOCC5)nc(-c5cnc(N)nc5)nc4c3)c2)CC1
InChIInChI=1S/C28H31FN10O2/c1-37-4-6-38(7-5-37)17-24(40)34-20-2-3-22(29)21(13-20)18-12-23-25(31-14-18)27(39-8-10-41-11-9-39)36-26(35-23)19-15-32-28(30)33-16-19/h2-3,12-16H,4-11,17H2,1H3,(H,34,40)(H2,30,32,33)
InChIKeyGQRFMCHTDDMQQQ-UHFFFAOYSA-N
XLogP1.89
TPSA138.52 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.62
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-4-fluorophenyl]-2-(4-methylpiperazin-1-yl)acetamide 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

N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]phenyl]-2-fluoropropanamide
CID 73053951
4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide
CID 73057746
2-(4-methylpiperazin-1-yl)-N-[4-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)phenyl]acetamide
CID 51002062
1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-[7-(furan-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea
CID 149122832
1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]phenyl]-3,3-dimethylbutan-2-one
CID 161430959
N-[4-[[4-[7-(2-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67514586
N-[2-fluoro-4-[[4-[7-(furan-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67514333
N-[4-[[3-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67515503
1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 161161749
3-fluoro-N,N-dimethyl-4-[[4-(4-morpholin-4-yl-7-pyrimidin-5-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]carbamoylamino]benzamide
CID 67516087
3-fluoro-4-[[4-[7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 67518025
N-[4-[[4-(6-fluoro-4-morpholin-4-yl-7-pyrimidin-5-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 123932852

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-4-fluorophenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-4-fluorophenyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 73055948) is N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-4-fluorophenyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-4-fluorophenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-4-fluorophenyl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2ccc(F)c(-c3cnc4c(N5CCOCC5)nc(-c5cnc(N)nc5)nc4c3)c2)CC1.
What is the InChIKey of N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-4-fluorophenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is GQRFMCHTDDMQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN10O2/c1-37-4-6-38(7-5-37)17-24(40)34-20-2-3-22(29)21(13-20)18-12-23-25(31-14-18)27(39-8-10-41-11-9-39)36-26(35-23)19-15-32-28(30)33-16-19/h2-3,12-16H,4-11,17H2,1H3,(H,34,40)(H2,30,32,33).
What are the key properties of N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-4-fluorophenyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-4-fluorophenyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 558.62 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-4-fluorophenyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 73055948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).