1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol

C22H25ClN6O — CID 166983960

IUPAC1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2cc3nc(Nc4cnn(C56CC(C5)C6)c4)ncc3cc2Cl)CC1
InChIInChI=1S/C22H25ClN6O/c1-21(30)2-4-28(5-3-21)19-7-18-15(6-17(19)23)11-24-20(27-18)26-16-12-25-29(13-16)22-8-14(9-22)10-22/h6-7,11-14,30H,2-5,8-10H2,1H3,(H,24,26,27)
InChIKeyNKWBWVVWWXEBPP-UHFFFAOYSA-N
MW424.94 g/mol
LogP4.08
Rot. Bonds4

About 1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol

1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol (PubChem CID 166983960) has the molecular formula C22H25ClN6O and a molecular weight of 424.94 g/mol. Its IUPAC name is 1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol
PubChem CID166983960
Molecular FormulaC22H25ClN6O
Molecular Weight424.94 g/mol
Exact Mass424.18
IUPAC Name1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2cc3nc(Nc4cnn(C56CC(C5)C6)c4)ncc3cc2Cl)CC1
InChIInChI=1S/C22H25ClN6O/c1-21(30)2-4-28(5-3-21)19-7-18-15(6-17(19)23)11-24-20(27-18)26-16-12-25-29(13-16)22-8-14(9-22)10-22/h6-7,11-14,30H,2-5,8-10H2,1H3,(H,24,26,27)
InChIKeyNKWBWVVWWXEBPP-UHFFFAOYSA-N
XLogP4.08
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol with MolForge

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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
6-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7-[4-(3-methyloxetan-3-yl)piperazin-1-yl]quinazolin-2-amine
CID 162748164
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
1-[4-[6-chloro-2-[(5-chloro-1-cyclopropylpyrazol-4-yl)amino]quinazolin-7-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 162748253
1-[2-[(1-but-1-en-2-yl-5-methylpyrazol-4-yl)amino]-6-methylquinazolin-7-yl]-4-methylpiperidin-4-ol
CID 170238745
tert-butyl 4-[6-chloro-2-[(5-chloro-1-cyclopropylpyrazol-4-yl)amino]quinazolin-7-yl]piperazine-1-carboxylate
CID 162747982
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
(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
1-[1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloroindazol-6-yl]-4-(oxolan-3-yl)piperidin-4-ol
CID 155381688
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
[(3aS,6aR)-2-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-hydroxycyclopropyl)methanone
CID 155454998

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol (CID 166983960) is 1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol is CC1(O)CCN(c2cc3nc(Nc4cnn(C56CC(C5)C6)c4)ncc3cc2Cl)CC1.
What is the InChIKey of 1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol?
The InChIKey is NKWBWVVWWXEBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O/c1-21(30)2-4-28(5-3-21)19-7-18-15(6-17(19)23)11-24-20(27-18)26-16-12-25-29(13-16)22-8-14(9-22)10-22/h6-7,11-14,30H,2-5,8-10H2,1H3,(H,24,26,27).
What are the key properties of 1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol?
1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol has a molecular weight of 424.94 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 166983960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).