4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol

C22H26Cl2N6O2 — CID 156730575

IUPAC4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
SMILESCn1nc(Cl)cc1Nc1ncc2cc(Cl)c(C3CCN(C4(C)COCC4O)CC3)cc2n1
InChIInChI=1S/C22H26Cl2N6O2/c1-22(12-32-11-18(22)31)30-5-3-13(4-6-30)15-8-17-14(7-16(15)23)10-25-21(26-17)27-20-9-19(24)28-29(20)2/h7-10,13,18,31H,3-6,11-12H2,1-2H3,(H,25,26,27)
InChIKeyAKADWAKILDZHNL-UHFFFAOYSA-N
MW477.40 g/mol
LogP3.74
Rot. Bonds4

About 4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol

4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol (PubChem CID 156730575) has the molecular formula C22H26Cl2N6O2 and a molecular weight of 477.40 g/mol. Its IUPAC name is 4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol.

Molecular Properties

Compound Name4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
PubChem CID156730575
Molecular FormulaC22H26Cl2N6O2
Molecular Weight477.40 g/mol
Exact Mass476.15
IUPAC Name4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
SMILESCn1nc(Cl)cc1Nc1ncc2cc(Cl)c(C3CCN(C4(C)COCC4O)CC3)cc2n1
InChIInChI=1S/C22H26Cl2N6O2/c1-22(12-32-11-18(22)31)30-5-3-13(4-6-30)15-8-17-14(7-16(15)23)10-25-21(26-17)27-20-9-19(24)28-29(20)2/h7-10,13,18,31H,3-6,11-12H2,1-2H3,(H,25,26,27)
InChIKeyAKADWAKILDZHNL-UHFFFAOYSA-N
XLogP3.74
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(3S,4S)-4-[4-[6-chloro-2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 175881567
4-[4-[6-chloro-2-[(1,5-dimethylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 167326767
(3R,4R)-4-[4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-6-methylquinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 167326584
(3S,4S)-4-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-6-methylquinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 175881591
(3S,4S)-4-[4-[6-chloro-2-[(5-chloro-1-cyclopropylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 156730834
CID 156730761
CID 156730761
(4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol
CID 167326612
4-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-6-chloroquinazolin-7-yl]-3-fluoropiperidin-1-yl]-4-methyloxolan-3-ol
CID 167326729
(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
4-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]-6-(trifluoromethyl)quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 156730857
1-[7-chloro-6-[1-(4-hydroxy-3-methyloxolan-3-yl)piperidin-4-yl]isoquinolin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 175855961
trans-(1S,2S)-N-[7-chloro-6-[1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl]isoquinolin-3-yl]-2-(2-fluoropropan-2-yl)cyclopropane-1-carboxamide
CID 172536838

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol?
The IUPAC name of 4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol (CID 156730575) is 4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol.
What is the SMILES notation for 4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol?
The canonical SMILES for 4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol is Cn1nc(Cl)cc1Nc1ncc2cc(Cl)c(C3CCN(C4(C)COCC4O)CC3)cc2n1.
What is the InChIKey of 4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol?
The InChIKey is AKADWAKILDZHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N6O2/c1-22(12-32-11-18(22)31)30-5-3-13(4-6-30)15-8-17-14(7-16(15)23)10-25-21(26-17)27-20-9-19(24)28-29(20)2/h7-10,13,18,31H,3-6,11-12H2,1-2H3,(H,25,26,27).
What are the key properties of 4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol?
4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol has a molecular weight of 477.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol is sourced from PubChem (CID 156730575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).