N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(difluoromethyl)quinazolin-4-amine

C17H10Cl2F2N6 — CID 133377215

IUPACN-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(difluoromethyl)quinazolin-4-amine
SMILESFC(F)c1nc(Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c2ccccc2n1
InChIInChI=1S/C17H10Cl2F2N6/c18-9-5-12(19)17(22-6-9)27-8-10(7-23-27)24-15-11-3-1-2-4-13(11)25-16(26-15)14(20)21/h1-8,14H,(H,24,25,26)
InChIKeyOHZSNRSIZDBXKM-UHFFFAOYSA-N
MW407.21 g/mol
LogP5.20
Rot. Bonds4

About N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(difluoromethyl)quinazolin-4-amine

N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(difluoromethyl)quinazolin-4-amine (PubChem CID 133377215) has the molecular formula C17H10Cl2F2N6 and a molecular weight of 407.21 g/mol. Its IUPAC name is N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(difluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(difluoromethyl)quinazolin-4-amine
PubChem CID133377215
Molecular FormulaC17H10Cl2F2N6
Molecular Weight407.21 g/mol
Exact Mass406.03
IUPAC NameN-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(difluoromethyl)quinazolin-4-amine
SMILESFC(F)c1nc(Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c2ccccc2n1
InChIInChI=1S/C17H10Cl2F2N6/c18-9-5-12(19)17(22-6-9)27-8-10(7-23-27)24-15-11-3-1-2-4-13(11)25-16(26-15)14(20)21/h1-8,14H,(H,24,25,26)
InChIKeyOHZSNRSIZDBXKM-UHFFFAOYSA-N
XLogP5.20
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.21
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine
CID 56557436
N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133377232
N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-4-methylpyrimidin-2-amine
CID 133377216
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylquinazolin-4-amine
CID 21003823
1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine
CID 61175443
4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine
CID 80849841
6-bromo-2-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]quinazolin-4-amine
CID 166365756
3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile
CID 133377207
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
4-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-3-nitrobenzonitrile
CID 133377236
4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine
CID 83073018
2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 22692895

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(difluoromethyl)quinazolin-4-amine?
The IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(difluoromethyl)quinazolin-4-amine (CID 133377215) is N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(difluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(difluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(difluoromethyl)quinazolin-4-amine is FC(F)c1nc(Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c2ccccc2n1.
What is the InChIKey of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(difluoromethyl)quinazolin-4-amine?
The InChIKey is OHZSNRSIZDBXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N6/c18-9-5-12(19)17(22-6-9)27-8-10(7-23-27)24-15-11-3-1-2-4-13(11)25-16(26-15)14(20)21/h1-8,14H,(H,24,25,26).
What are the key properties of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(difluoromethyl)quinazolin-4-amine?
N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(difluoromethyl)quinazolin-4-amine has a molecular weight of 407.21 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(difluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 133377215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).