6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine

C23H27ClN6O — CID 166632036

IUPAC6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine
SMILESCc1c(Nc2ncc3cc(Cl)c(C4CCN(C5COC5)CC4)cc3n2)cnn1C1CC1
InChIInChI=1S/C23H27ClN6O/c1-14-22(11-26-30(14)17-2-3-17)28-23-25-10-16-8-20(24)19(9-21(16)27-23)15-4-6-29(7-5-15)18-12-31-13-18/h8-11,15,17-18H,2-7,12-13H2,1H3,(H,25,27,28)
InChIKeyIAONRTHJRPJWJO-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.44
Rot. Bonds5

About 6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine

6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine (PubChem CID 166632036) has the molecular formula C23H27ClN6O and a molecular weight of 438.96 g/mol. Its IUPAC name is 6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine
PubChem CID166632036
Molecular FormulaC23H27ClN6O
Molecular Weight438.96 g/mol
Exact Mass438.19
IUPAC Name6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine
SMILESCc1c(Nc2ncc3cc(Cl)c(C4CCN(C5COC5)CC4)cc3n2)cnn1C1CC1
InChIInChI=1S/C23H27ClN6O/c1-14-22(11-26-30(14)17-2-3-17)28-23-25-10-16-8-20(24)19(9-21(16)27-23)15-4-6-29(7-5-15)18-12-31-13-18/h8-11,15,17-18H,2-7,12-13H2,1H3,(H,25,27,28)
InChIKeyIAONRTHJRPJWJO-UHFFFAOYSA-N
XLogP4.44
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine?
The IUPAC name of 6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine (CID 166632036) is 6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine.
What is the SMILES notation for 6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine?
The canonical SMILES for 6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine is Cc1c(Nc2ncc3cc(Cl)c(C4CCN(C5COC5)CC4)cc3n2)cnn1C1CC1.
What is the InChIKey of 6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine?
The InChIKey is IAONRTHJRPJWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O/c1-14-22(11-26-30(14)17-2-3-17)28-23-25-10-16-8-20(24)19(9-21(16)27-23)15-4-6-29(7-5-15)18-12-31-13-18/h8-11,15,17-18H,2-7,12-13H2,1H3,(H,25,27,28).
What are the key properties of 6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine?
6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine has a molecular weight of 438.96 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine is sourced from PubChem (CID 166632036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).