1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol

C23H30N6O — CID 170238745

IUPAC1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol
SMILESC=C(CC)n1ncc(Nc2ncc3cc(C)c(N4CCC(C)(O)CC4)cc3n2)c1C
InChIInChI=1S/C23H30N6O/c1-6-16(3)29-17(4)20(14-25-29)27-22-24-13-18-11-15(2)21(12-19(18)26-22)28-9-7-23(5,30)8-10-28/h11-14,30H,3,6-10H2,1-2,4-5H3,(H,24,26,27)
InChIKeyMODUGTOHGMCFOH-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.42
Rot. Bonds5

About 1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol

1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol (PubChem CID 170238745) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol
PubChem CID170238745
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol
SMILESC=C(CC)n1ncc(Nc2ncc3cc(C)c(N4CCC(C)(O)CC4)cc3n2)c1C
InChIInChI=1S/C23H30N6O/c1-6-16(3)29-17(4)20(14-25-29)27-22-24-13-18-11-15(2)21(12-19(18)26-22)28-9-7-23(5,30)8-10-28/h11-14,30H,3,6-10H2,1-2,4-5H3,(H,24,26,27)
InChIKeyMODUGTOHGMCFOH-UHFFFAOYSA-N
XLogP4.42
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol
CID 175940412
N-(1-ethyl-5-methylpyrazol-4-yl)-6,7-dimethylquinazolin-2-amine
CID 156730609
1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol
CID 166983960
4-[4-[2-[[5-chloro-1-(2,2-difluorocyclopropyl)pyrazol-4-yl]amino]-6-methylquinazolin-7-yl]piperazin-1-yl]-4-methyloxolan-3-ol
CID 162747777
6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine
CID 162747854
(3R)-4-methyl-4-[4-[6-methyl-2-[(5-methyl-1-propylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]oxolan-3-ol
CID 156730635
1-[4-[6-chloro-2-[(5-chloro-1-cyclopropylpyrazol-4-yl)amino]quinazolin-7-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 162748253
4-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]-6-(trifluoromethyl)quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 156730857
(3R,4R)-4-[4-[2-[[1-[(1S)-2,2-difluorocyclopropyl]-5-methylpyrazol-4-yl]amino]-6-methylquinazolin-7-yl]piperidin-1-yl]oxolan-3-ol
CID 172809518
1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)-5-chloropyrazol-4-yl]amino]-6,8-dichloroquinazolin-7-yl]-4-methylpiperidin-4-ol
CID 169076056
(1S)-2-[4-[6-chloro-2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]-1-(3,5-difluorophenyl)ethanol
CID 167326540
6-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7-[4-(3-methyloxetan-3-yl)piperazin-1-yl]quinazolin-2-amine
CID 162748164

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol (CID 170238745) is 1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol is C=C(CC)n1ncc(Nc2ncc3cc(C)c(N4CCC(C)(O)CC4)cc3n2)c1C.
What is the InChIKey of 1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol?
The InChIKey is MODUGTOHGMCFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-6-16(3)29-17(4)20(14-25-29)27-22-24-13-18-11-15(2)21(12-19(18)26-22)28-9-7-23(5,30)8-10-28/h11-14,30H,3,6-10H2,1-2,4-5H3,(H,24,26,27).
What are the key properties of 1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol?
1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol has a molecular weight of 406.53 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 170238745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).