N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)quinazolin-4-amine

C27H32N6O2 — CID 127046610

IUPACN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)quinazolin-4-amine
SMILESCOc1cc(CCc2cc(Nc3ncnc4cc(C5CCN(C)CC5)ccc34)n[nH]2)cc(OC)c1
InChIInChI=1S/C27H32N6O2/c1-33-10-8-19(9-11-33)20-5-7-24-25(14-20)28-17-29-27(24)30-26-15-21(31-32-26)6-4-18-12-22(34-2)16-23(13-18)35-3/h5,7,12-17,19H,4,6,8-11H2,1-3H3,(H2,28,29,30,31,32)
InChIKeyMHQMZFNNZJVUKF-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.71
Rot. Bonds8

About N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)quinazolin-4-amine

N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)quinazolin-4-amine (PubChem CID 127046610) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)quinazolin-4-amine
PubChem CID127046610
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC NameN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)quinazolin-4-amine
SMILESCOc1cc(CCc2cc(Nc3ncnc4cc(C5CCN(C)CC5)ccc34)n[nH]2)cc(OC)c1
InChIInChI=1S/C27H32N6O2/c1-33-10-8-19(9-11-33)20-5-7-24-25(14-20)28-17-29-27(24)30-26-15-21(31-32-26)6-4-18-12-22(34-2)16-23(13-18)35-3/h5,7,12-17,19H,4,6,8-11H2,1-3H3,(H2,28,29,30,31,32)
InChIKeyMHQMZFNNZJVUKF-UHFFFAOYSA-N
XLogP4.71
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-morpholin-4-ylquinazolin-4-amine
CID 127047232
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 127046273
N-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 54337725
7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine
CID 141331547
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3S)-3,5-dimethylpiperazin-1-yl]benzamide
CID 130413665
N-(2,3-difluorophenyl)-2-[3-[[7-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]acetamide
CID 69462936
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3,3-dimethylbutanamide
CID 86972583
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 66589962
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 175880712
N-(2-chloro-5-methoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5330175
tert-butyl 4-[[4-[[5-[2-(2,3-difluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 68662723

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)quinazolin-4-amine?
The IUPAC name of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)quinazolin-4-amine (CID 127046610) is N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)quinazolin-4-amine.
What is the SMILES notation for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)quinazolin-4-amine?
The canonical SMILES for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)quinazolin-4-amine is COc1cc(CCc2cc(Nc3ncnc4cc(C5CCN(C)CC5)ccc34)n[nH]2)cc(OC)c1.
What is the InChIKey of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)quinazolin-4-amine?
The InChIKey is MHQMZFNNZJVUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-33-10-8-19(9-11-33)20-5-7-24-25(14-20)28-17-29-27(24)30-26-15-21(31-32-26)6-4-18-12-22(34-2)16-23(13-18)35-3/h5,7,12-17,19H,4,6,8-11H2,1-3H3,(H2,28,29,30,31,32).
What are the key properties of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)quinazolin-4-amine?
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)quinazolin-4-amine has a molecular weight of 472.59 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)quinazolin-4-amine is sourced from PubChem (CID 127046610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).