[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

C26H32N6O3 — CID 152953893

IUPAC[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
SMILESCOc1cc(-c2cnn(C)c2CO)ccc1Cc1ncc2cc(C)nc(NCC(C)(C)OC)c2n1
InChIInChI=1S/C26H32N6O3/c1-16-9-19-12-27-23(31-24(19)25(30-16)28-15-26(2,3)35-6)11-18-8-7-17(10-22(18)34-5)20-13-29-32(4)21(20)14-33/h7-10,12-13,33H,11,14-15H2,1-6H3,(H,28,30)
InChIKeyUPFWMRHZJUPQGR-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.66
Rot. Bonds9

About [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

[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 (PubChem CID 152953893) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID152953893
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name[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
SMILESCOc1cc(-c2cnn(C)c2CO)ccc1Cc1ncc2cc(C)nc(NCC(C)(C)OC)c2n1
InChIInChI=1S/C26H32N6O3/c1-16-9-19-12-27-23(31-24(19)25(30-16)28-15-26(2,3)35-6)11-18-8-7-17(10-22(18)34-5)20-13-29-32(4)21(20)14-33/h7-10,12-13,33H,11,14-15H2,1-6H3,(H,28,30)
InChIKeyUPFWMRHZJUPQGR-UHFFFAOYSA-N
XLogP3.66
TPSA107.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [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 with MolForge

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Related Compounds

N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine
CID 159726779
2-[[4-(1,3-dimethylpyrazol-4-yl)-2-ethoxyphenyl]methyl]-N-(2-methoxy-2-methylpropyl)pyrido[3,4-d]pyrimidin-8-amine
CID 157409467
N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine
CID 147736244
N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine
CID 146864840
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
[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
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
2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
CID 147495459
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
N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide
CID 160845626
8-(3,3-difluoropyrrolidin-1-yl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidine
CID 148509114
2-[[2-ethoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidine
CID 147576638

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COc1cc(-c2cnn(C)c2CO)ccc1Cc1ncc2cc(C)nc(NCC(C)(C)OC)c2n1.
What is the InChIKey of [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?
The InChIKey is UPFWMRHZJUPQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-16-9-19-12-27-23(31-24(19)25(30-16)28-15-26(2,3)35-6)11-18-8-7-17(10-22(18)34-5)20-13-29-32(4)21(20)14-33/h7-10,12-13,33H,11,14-15H2,1-6H3,(H,28,30).
What are the key properties of [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?
[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 has a molecular weight of 476.58 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 152953893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).