6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]quinazolin-2-amine

C22H24Cl2FN7 — CID 162747738

IUPAC6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]quinazolin-2-amine
SMILESFC1CN(C2CCN(c3cc4nc(Nc5cnn(C6CC6)c5Cl)ncc4cc3Cl)CC2)C1
InChIInChI=1S/C22H24Cl2FN7/c23-17-7-13-9-26-22(29-19-10-27-32(21(19)24)16-1-2-16)28-18(13)8-20(17)30-5-3-15(4-6-30)31-11-14(25)12-31/h7-10,14-16H,1-6,11-12H2,(H,26,28,29)
InChIKeyCOBNXAABSIWPBF-UHFFFAOYSA-N
MW476.39 g/mol
LogP4.83
Rot. Bonds5

About 6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]quinazolin-2-amine

6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]quinazolin-2-amine (PubChem CID 162747738) has the molecular formula C22H24Cl2FN7 and a molecular weight of 476.39 g/mol. Its IUPAC name is 6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]quinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]quinazolin-2-amine
PubChem CID162747738
Molecular FormulaC22H24Cl2FN7
Molecular Weight476.39 g/mol
Exact Mass475.15
IUPAC Name6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]quinazolin-2-amine
SMILESFC1CN(C2CCN(c3cc4nc(Nc5cnn(C6CC6)c5Cl)ncc4cc3Cl)CC2)C1
InChIInChI=1S/C22H24Cl2FN7/c23-17-7-13-9-26-22(29-19-10-27-32(21(19)24)16-1-2-16)28-18(13)8-20(17)30-5-3-15(4-6-30)31-11-14(25)12-31/h7-10,14-16H,1-6,11-12H2,(H,26,28,29)
InChIKeyCOBNXAABSIWPBF-UHFFFAOYSA-N
XLogP4.83
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]quinazolin-2-amine?
The IUPAC name of 6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]quinazolin-2-amine (CID 162747738) is 6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]quinazolin-2-amine.
What is the SMILES notation for 6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]quinazolin-2-amine?
The canonical SMILES for 6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]quinazolin-2-amine is FC1CN(C2CCN(c3cc4nc(Nc5cnn(C6CC6)c5Cl)ncc4cc3Cl)CC2)C1.
What is the InChIKey of 6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]quinazolin-2-amine?
The InChIKey is COBNXAABSIWPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2FN7/c23-17-7-13-9-26-22(29-19-10-27-32(21(19)24)16-1-2-16)28-18(13)8-20(17)30-5-3-15(4-6-30)31-11-14(25)12-31/h7-10,14-16H,1-6,11-12H2,(H,26,28,29).
What are the key properties of 6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]quinazolin-2-amine?
6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]quinazolin-2-amine has a molecular weight of 476.39 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[4-(3-fluoroazetidin-1-yl)piperidin-1-yl]quinazolin-2-amine is sourced from PubChem (CID 162747738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).