N-[[1-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide

C21H25FN6O — CID 172892514

IUPACN-[[1-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCN(c3ncnc4cc(F)ccc34)CC2)nn1C
InChIInChI=1S/C21H25FN6O/c1-14-10-19(25-27(14)3)21(29)26(2)12-15-6-8-28(9-7-15)20-17-5-4-16(22)11-18(17)23-13-24-20/h4-5,10-11,13,15H,6-9,12H2,1-3H3
InChIKeyUHNMPRMSAPLQFQ-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.80
Rot. Bonds4

About N-[[1-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide

N-[[1-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 172892514) has the molecular formula C21H25FN6O and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[[1-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID172892514
Molecular FormulaC21H25FN6O
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC NameN-[[1-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCN(c3ncnc4cc(F)ccc34)CC2)nn1C
InChIInChI=1S/C21H25FN6O/c1-14-10-19(25-27(14)3)21(29)26(2)12-15-6-8-28(9-7-15)20-17-5-4-16(22)11-18(17)23-13-24-20/h4-5,10-11,13,15H,6-9,12H2,1-3H3
InChIKeyUHNMPRMSAPLQFQ-UHFFFAOYSA-N
XLogP2.80
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172882059
N-[[1-(5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172892560
N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 172881810
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172892168
N-[[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172904251
N,1,5-trimethyl-N-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 172892523
N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 172899868
N,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 172892283
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650857
N-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172893358
N-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 171998007
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172933857

Frequently Asked Questions

What is the IUPAC name of N-[[1-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[1-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 172892514) is N-[[1-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[1-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[1-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)CC2CCN(c3ncnc4cc(F)ccc34)CC2)nn1C.
What is the InChIKey of N-[[1-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is UHNMPRMSAPLQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O/c1-14-10-19(25-27(14)3)21(29)26(2)12-15-6-8-28(9-7-15)20-17-5-4-16(22)11-18(17)23-13-24-20/h4-5,10-11,13,15H,6-9,12H2,1-3H3.
What are the key properties of N-[[1-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
N-[[1-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172892514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).