6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine

C19H21ClF2N6 — CID 156730649

IUPAC6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine
SMILESCN1CCC(c2cc3nc(Nc4cnn(C)c4C(F)F)ncc3cc2Cl)CC1
InChIInChI=1S/C19H21ClF2N6/c1-27-5-3-11(4-6-27)13-8-15-12(7-14(13)20)9-23-19(25-15)26-16-10-24-28(2)17(16)18(21)22/h7-11,18H,3-6H2,1-2H3,(H,23,25,26)
InChIKeyPLYQEYAOSYFODW-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.51
Rot. Bonds4

About 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine

6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine (PubChem CID 156730649) has the molecular formula C19H21ClF2N6 and a molecular weight of 406.87 g/mol. Its IUPAC name is 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine
PubChem CID156730649
Molecular FormulaC19H21ClF2N6
Molecular Weight406.87 g/mol
Exact Mass406.15
IUPAC Name6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine
SMILESCN1CCC(c2cc3nc(Nc4cnn(C)c4C(F)F)ncc3cc2Cl)CC1
InChIInChI=1S/C19H21ClF2N6/c1-27-5-3-11(4-6-27)13-8-15-12(7-14(13)20)9-23-19(25-15)26-16-10-24-28(2)17(16)18(21)22/h7-11,18H,3-6H2,1-2H3,(H,23,25,26)
InChIKeyPLYQEYAOSYFODW-UHFFFAOYSA-N
XLogP4.51
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane
CID 156730670
4-[4-[6-chloro-2-[(1,5-dimethylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 167326767
(1S)-2-[4-[6-chloro-2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]-1-(3,5-difluorophenyl)ethanol
CID 167326540
6-chloro-N-(5-methyl-1-propylpyrazol-4-yl)-7-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-2-amine
CID 156730602
6-chloro-N-(5-chloro-1H-pyrazol-4-yl)-7-cyclopropylquinazolin-2-amine
CID 156730745
(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
6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine
CID 162747889
6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine
CID 156730691
(3R)-4-[4-[2-[[1-(1-bicyclo[1.1.1]pentanyl)-5-methylpyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]piperidin-1-yl]oxolan-3-ol
CID 167326481
(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
4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 156730575
6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[(3R,4R)-1-(1,1-dioxothietan-3-yl)-3-fluoropiperidin-4-yl]quinazolin-2-amine
CID 167326753

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine?
The IUPAC name of 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine (CID 156730649) is 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine.
What is the SMILES notation for 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine?
The canonical SMILES for 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine is CN1CCC(c2cc3nc(Nc4cnn(C)c4C(F)F)ncc3cc2Cl)CC1.
What is the InChIKey of 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine?
The InChIKey is PLYQEYAOSYFODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF2N6/c1-27-5-3-11(4-6-27)13-8-15-12(7-14(13)20)9-23-19(25-15)26-16-10-24-28(2)17(16)18(21)22/h7-11,18H,3-6H2,1-2H3,(H,23,25,26).
What are the key properties of 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine?
6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine has a molecular weight of 406.87 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine is sourced from PubChem (CID 156730649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).