6-chloro-N-[5-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-7-piperazin-1-ylquinazolin-2-amine

C20H20Cl2FN7 — CID 162747856

IUPAC6-chloro-N-[5-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-7-piperazin-1-ylquinazolin-2-amine
SMILESFC12CC(n3ncc(Nc4ncc5cc(Cl)c(N6CCNCC6)cc5n4)c3Cl)(C1)C2
InChIInChI=1S/C20H20Cl2FN7/c21-13-5-12-7-25-18(27-14(12)6-16(13)29-3-1-24-2-4-29)28-15-8-26-30(17(15)22)20-9-19(23,10-20)11-20/h5-8,24H,1-4,9-11H2,(H,25,27,28)
InChIKeyGHIJMDVISXQGTQ-UHFFFAOYSA-N
MW448.33 g/mol
LogP3.89
Rot. Bonds4

About 6-chloro-N-[5-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-7-piperazin-1-ylquinazolin-2-amine

6-chloro-N-[5-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-7-piperazin-1-ylquinazolin-2-amine (PubChem CID 162747856) has the molecular formula C20H20Cl2FN7 and a molecular weight of 448.33 g/mol. Its IUPAC name is 6-chloro-N-[5-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-7-piperazin-1-ylquinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[5-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-7-piperazin-1-ylquinazolin-2-amine
PubChem CID162747856
Molecular FormulaC20H20Cl2FN7
Molecular Weight448.33 g/mol
Exact Mass447.11
IUPAC Name6-chloro-N-[5-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-7-piperazin-1-ylquinazolin-2-amine
SMILESFC12CC(n3ncc(Nc4ncc5cc(Cl)c(N6CCNCC6)cc5n4)c3Cl)(C1)C2
InChIInChI=1S/C20H20Cl2FN7/c21-13-5-12-7-25-18(27-14(12)6-16(13)29-3-1-24-2-4-29)28-15-8-26-30(17(15)22)20-9-19(23,10-20)11-20/h5-8,24H,1-4,9-11H2,(H,25,27,28)
InChIKeyGHIJMDVISXQGTQ-UHFFFAOYSA-N
XLogP3.89
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.33
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-N-[5-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-7-piperazin-1-ylquinazolin-2-amine with MolForge

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Related Compounds

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
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
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
6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine
CID 156730691
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-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine
CID 162747854
1-[2-[[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]-4-methylpiperidin-4-ol
CID 166983960
4-[4-[2-[[5-chloro-1-(2,2-difluorocyclopropyl)pyrazol-4-yl]amino]-6-methylquinazolin-7-yl]piperazin-1-yl]-4-methyloxolan-3-ol
CID 162747777
6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane
CID 156730670
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
(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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-7-piperazin-1-ylquinazolin-2-amine?
The IUPAC name of 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) is 6-chloro-N-[5-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-7-piperazin-1-ylquinazolin-2-amine.
What is the SMILES notation for 6-chloro-N-[5-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-7-piperazin-1-ylquinazolin-2-amine?
The canonical SMILES for 6-chloro-N-[5-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-7-piperazin-1-ylquinazolin-2-amine is FC12CC(n3ncc(Nc4ncc5cc(Cl)c(N6CCNCC6)cc5n4)c3Cl)(C1)C2.
What is the InChIKey of 6-chloro-N-[5-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-7-piperazin-1-ylquinazolin-2-amine?
The InChIKey is GHIJMDVISXQGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2FN7/c21-13-5-12-7-25-18(27-14(12)6-16(13)29-3-1-24-2-4-29)28-15-8-26-30(17(15)22)20-9-19(23,10-20)11-20/h5-8,24H,1-4,9-11H2,(H,25,27,28).
What are the key properties of 6-chloro-N-[5-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-7-piperazin-1-ylquinazolin-2-amine?
6-chloro-N-[5-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-7-piperazin-1-ylquinazolin-2-amine has a molecular weight of 448.33 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-7-piperazin-1-ylquinazolin-2-amine is sourced from PubChem (CID 162747856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).