[4-[3-methoxy-4-[[8-[(3-methyloxolan-3-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]-1-methylpyrazol-5-yl]methanol

C25H29N7O3 — CID 73291768

IUPAC[4-[3-methoxy-4-[[8-[(3-methyloxolan-3-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]-1-methylpyrazol-5-yl]methanol
SMILESCOc1cc(-c2cnn(C)c2CO)ccc1Nc1ncc2ccnc(NCC3(C)CCOC3)c2n1
InChIInChI=1S/C25H29N7O3/c1-25(7-9-35-15-25)14-28-23-22-17(6-8-26-23)11-27-24(31-22)30-19-5-4-16(10-21(19)34-3)18-12-29-32(2)20(18)13-33/h4-6,8,10-12,33H,7,9,13-15H2,1-3H3,(H,26,28)(H,27,30,31)
InChIKeyFIHOKEBZXLEGDC-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.51
Rot. Bonds8

About [4-[3-methoxy-4-[[8-[(3-methyloxolan-3-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]-1-methylpyrazol-5-yl]methanol

[4-[3-methoxy-4-[[8-[(3-methyloxolan-3-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]-1-methylpyrazol-5-yl]methanol (PubChem CID 73291768) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is [4-[3-methoxy-4-[[8-[(3-methyloxolan-3-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]-1-methylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name[4-[3-methoxy-4-[[8-[(3-methyloxolan-3-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]-1-methylpyrazol-5-yl]methanol
PubChem CID73291768
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC Name[4-[3-methoxy-4-[[8-[(3-methyloxolan-3-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]-1-methylpyrazol-5-yl]methanol
SMILESCOc1cc(-c2cnn(C)c2CO)ccc1Nc1ncc2ccnc(NCC3(C)CCOC3)c2n1
InChIInChI=1S/C25H29N7O3/c1-25(7-9-35-15-25)14-28-23-22-17(6-8-26-23)11-27-24(31-22)30-19-5-4-16(10-21(19)34-3)18-12-29-32(2)20(18)13-33/h4-6,8,10-12,33H,7,9,13-15H2,1-3H3,(H,26,28)(H,27,30,31)
InChIKeyFIHOKEBZXLEGDC-UHFFFAOYSA-N
XLogP3.51
TPSA119.24 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [4-[3-methoxy-4-[[8-[(3-methyloxolan-3-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]-1-methylpyrazol-5-yl]methanol 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

2-N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-N-[(3-methyloxolan-3-yl)methyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386892
2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(3-methylbutyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 90001440
8-N-(3-methoxy-2,2-dimethylpropyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386983
2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propanoic acid
CID 90004661
2-N-[4-(1,3-dimethylpyrazol-4-yl)-2-ethoxyphenyl]-8-N-(2-methoxy-2-methylpropyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 122451837
[4-[3-methoxy-4-[[8-[(2-methoxy-2-methylpropyl)amino]-6-methylpyrido[3,4-d]pyrimidin-2-yl]methyl]phenyl]-1-methylpyrazol-5-yl]methanol
CID 152953893
8-N-(2,2-dimethylpropyl)-2-N-[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 91864586
2-N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 73387151
N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide
CID 138588417
2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]-propylamino]ethanesulfinate
CID 122450916
N-[3-[2-[4-[(3R)-3-(aminomethyl)morpholin-4-yl]-2-methoxyanilino]quinazolin-8-yl]phenyl]prop-2-enamide
CID 118162858
2-N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-8-N-(oxetan-3-ylmethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 118348861

Frequently Asked Questions

What is the IUPAC name of [4-[3-methoxy-4-[[8-[(3-methyloxolan-3-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]-1-methylpyrazol-5-yl]methanol?
The IUPAC name of [4-[3-methoxy-4-[[8-[(3-methyloxolan-3-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]-1-methylpyrazol-5-yl]methanol (CID 73291768) is [4-[3-methoxy-4-[[8-[(3-methyloxolan-3-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]-1-methylpyrazol-5-yl]methanol.
What is the SMILES notation for [4-[3-methoxy-4-[[8-[(3-methyloxolan-3-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]-1-methylpyrazol-5-yl]methanol?
The canonical SMILES for [4-[3-methoxy-4-[[8-[(3-methyloxolan-3-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]-1-methylpyrazol-5-yl]methanol is COc1cc(-c2cnn(C)c2CO)ccc1Nc1ncc2ccnc(NCC3(C)CCOC3)c2n1.
What is the InChIKey of [4-[3-methoxy-4-[[8-[(3-methyloxolan-3-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]-1-methylpyrazol-5-yl]methanol?
The InChIKey is FIHOKEBZXLEGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-25(7-9-35-15-25)14-28-23-22-17(6-8-26-23)11-27-24(31-22)30-19-5-4-16(10-21(19)34-3)18-12-29-32(2)20(18)13-33/h4-6,8,10-12,33H,7,9,13-15H2,1-3H3,(H,26,28)(H,27,30,31).
What are the key properties of [4-[3-methoxy-4-[[8-[(3-methyloxolan-3-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]-1-methylpyrazol-5-yl]methanol?
[4-[3-methoxy-4-[[8-[(3-methyloxolan-3-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]-1-methylpyrazol-5-yl]methanol has a molecular weight of 475.55 g/mol, XLogP of 3.51, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-methoxy-4-[[8-[(3-methyloxolan-3-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]-1-methylpyrazol-5-yl]methanol is sourced from PubChem (CID 73291768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).