1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol

C23H29ClN6O2 — CID 175940412

IUPAC1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol
SMILESCO[C@@H]1CC[C@H]1n1ncc(Nc2ncc3cc(Cl)c(N4CCC(C)(O)CC4)cc3n2)c1C
InChIInChI=1S/C23H29ClN6O2/c1-14-18(13-26-30(14)19-4-5-21(19)32-3)28-22-25-12-15-10-16(24)20(11-17(15)27-22)29-8-6-23(2,31)7-9-29/h10-13,19,21,31H,4-9H2,1-3H3,(H,25,27,28)/t19-,21-/m1/s1
InChIKeyQTFIUMRDUXDNHW-TZIWHRDSSA-N
MW456.98 g/mol
LogP4.23
Rot. Bonds5

About 1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol

1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol (PubChem CID 175940412) has the molecular formula C23H29ClN6O2 and a molecular weight of 456.98 g/mol. Its IUPAC name is 1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol
PubChem CID175940412
Molecular FormulaC23H29ClN6O2
Molecular Weight456.98 g/mol
Exact Mass456.20
IUPAC Name1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol
SMILESCO[C@@H]1CC[C@H]1n1ncc(Nc2ncc3cc(Cl)c(N4CCC(C)(O)CC4)cc3n2)c1C
InChIInChI=1S/C23H29ClN6O2/c1-14-18(13-26-30(14)19-4-5-21(19)32-3)28-22-25-12-15-10-16(24)20(11-17(15)27-22)29-8-6-23(2,31)7-9-29/h10-13,19,21,31H,4-9H2,1-3H3,(H,25,27,28)/t19-,21-/m1/s1
InChIKeyQTFIUMRDUXDNHW-TZIWHRDSSA-N
XLogP4.23
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.98
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol with MolForge

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Related Compounds

1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol
CID 170238745
1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol
CID 166983960
tert-butyl 4-[6-chloro-2-[(5-chloro-1-cyclopropylpyrazol-4-yl)amino]quinazolin-7-yl]piperazine-1-carboxylate
CID 162747982
1-[4-[6-chloro-2-[(5-chloro-1-cyclopropylpyrazol-4-yl)amino]quinazolin-7-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 162748253
(4R)-4-[4-[6-chloro-2-[[1-cyclopropyl-5-(difluoromethyl)pyrazol-4-yl]amino]quinazolin-7-yl]piperazin-1-yl]-4-methyloxolan-3-ol
CID 162748023
6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine
CID 162747854
N-(1-tert-butyl-5-chloropyrazol-4-yl)-6-chloro-7-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]quinazolin-2-amine
CID 162748192
6-chloro-N-[5-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-7-piperazin-1-ylquinazolin-2-amine
CID 162747856
6-chloro-N-[5-chloro-1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinazolin-2-amine
CID 169076067
(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
(3R,4R)-4-[(3S,4S)-4-[6-chloro-2-[[1-(2,2-difluorocyclopropyl)-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-3-fluoropiperidin-1-yl]oxolan-3-ol
CID 167326793
6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine
CID 162747889

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol (CID 175940412) is 1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol is CO[C@@H]1CC[C@H]1n1ncc(Nc2ncc3cc(Cl)c(N4CCC(C)(O)CC4)cc3n2)c1C.
What is the InChIKey of 1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol?
The InChIKey is QTFIUMRDUXDNHW-TZIWHRDSSA-N. The full InChI is InChI=1S/C23H29ClN6O2/c1-14-18(13-26-30(14)19-4-5-21(19)32-3)28-22-25-12-15-10-16(24)20(11-17(15)27-22)29-8-6-23(2,31)7-9-29/h10-13,19,21,31H,4-9H2,1-3H3,(H,25,27,28)/t19-,21-/m1/s1.
What are the key properties of 1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol?
1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol has a molecular weight of 456.98 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 175940412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).