N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide

C19H21FN6O — CID 175650857

IUPACN-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C19H21FN6O/c1-24-11-13(10-23-24)19(27)25(2)15-5-7-26(8-6-15)18-16-9-14(20)3-4-17(16)21-12-22-18/h3-4,9-12,15H,5-8H2,1-2H3
InChIKeyBEIOYOJPNWWCPK-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.24
Rot. Bonds3

About N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide

N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 175650857) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID175650857
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC NameN-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C19H21FN6O/c1-24-11-13(10-23-24)19(27)25(2)15-5-7-26(8-6-15)18-16-9-14(20)3-4-17(16)21-12-22-18/h3-4,9-12,15H,5-8H2,1-2H3
InChIKeyBEIOYOJPNWWCPK-UHFFFAOYSA-N
XLogP2.24
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
CID 133300706
N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175649467
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
N-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-N,1-dimethylpyrazole-4-carboxamide
CID 172903018
N,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 175650893
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976434
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175651005
N,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 175648675
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166606135
N,1-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide
CID 175650443
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166603435

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide (CID 175650857) is N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide is CN(C(=O)c1cnn(C)c1)C1CCN(c2ncnc3ccc(F)cc23)CC1.
What is the InChIKey of N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is BEIOYOJPNWWCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-24-11-13(10-23-24)19(27)25(2)15-5-7-26(8-6-15)18-16-9-14(20)3-4-17(16)21-12-22-18/h3-4,9-12,15H,5-8H2,1-2H3.
What are the key properties of N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 175650857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).