2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine

C24H21N7O2 — CID 166164425

IUPAC2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine
SMILESCc1cccc(-c2cnn(-c3nc(N4CCOCC4)c4oc(-c5ccncn5)cc4n3)c2)c1
InChIInChI=1S/C24H21N7O2/c1-16-3-2-4-17(11-16)18-13-27-31(14-18)24-28-20-12-21(19-5-6-25-15-26-19)33-22(20)23(29-24)30-7-9-32-10-8-30/h2-6,11-15H,7-10H2,1H3
InChIKeyWJXIHBFWJXKNFA-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.68
Rot. Bonds4

About 2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine

2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine (PubChem CID 166164425) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine
PubChem CID166164425
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine
SMILESCc1cccc(-c2cnn(-c3nc(N4CCOCC4)c4oc(-c5ccncn5)cc4n3)c2)c1
InChIInChI=1S/C24H21N7O2/c1-16-3-2-4-17(11-16)18-13-27-31(14-18)24-28-20-12-21(19-5-6-25-15-26-19)33-22(20)23(29-24)30-7-9-32-10-8-30/h2-6,11-15H,7-10H2,1H3
InChIKeyWJXIHBFWJXKNFA-UHFFFAOYSA-N
XLogP3.68
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine
CID 166738358
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine
CID 166164628
N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 166738328
6-[(3E)-2-methylhepta-1,3-dien-4-yl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 166164813
N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 166738424
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one
CID 166738323
4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine
CID 166738469
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxylic acid
CID 166164831
N-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738324
4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 166164372
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 169032486
N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738351

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine?
The IUPAC name of 2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine (CID 166164425) is 2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine?
The canonical SMILES for 2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine is Cc1cccc(-c2cnn(-c3nc(N4CCOCC4)c4oc(-c5ccncn5)cc4n3)c2)c1.
What is the InChIKey of 2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine?
The InChIKey is WJXIHBFWJXKNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-16-3-2-4-17(11-16)18-13-27-31(14-18)24-28-20-12-21(19-5-6-25-15-26-19)33-22(20)23(29-24)30-7-9-32-10-8-30/h2-6,11-15H,7-10H2,1H3.
What are the key properties of 2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine?
2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine has a molecular weight of 439.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine is sourced from PubChem (CID 166164425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).