N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorocyclohepta-1,3,5-triene-1-carboxamide

C21H18FN5O2 — CID 123274864

IUPACN-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorocyclohepta-1,3,5-triene-1-carboxamide
SMILESCn1nc(-c2ccco2)cc1-c1ccc(NC(=O)C2=C(F)C=CC=CC2)nc1N
InChIInChI=1S/C21H18FN5O2/c1-27-17(12-16(26-27)18-8-5-11-29-18)14-9-10-19(24-20(14)23)25-21(28)13-6-3-2-4-7-15(13)22/h2-5,7-12H,6H2,1H3,(H3,23,24,25,28)
InChIKeyPCDZFTLLEYFOPS-UHFFFAOYSA-N
MW391.41 g/mol
LogP4.00
Rot. Bonds4

About N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorocyclohepta-1,3,5-triene-1-carboxamide

N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorocyclohepta-1,3,5-triene-1-carboxamide (PubChem CID 123274864) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorocyclohepta-1,3,5-triene-1-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorocyclohepta-1,3,5-triene-1-carboxamide
PubChem CID123274864
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC NameN-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorocyclohepta-1,3,5-triene-1-carboxamide
SMILESCn1nc(-c2ccco2)cc1-c1ccc(NC(=O)C2=C(F)C=CC=CC2)nc1N
InChIInChI=1S/C21H18FN5O2/c1-27-17(12-16(26-27)18-8-5-11-29-18)14-9-10-19(24-20(14)23)25-21(28)13-6-3-2-4-7-15(13)22/h2-5,7-12H,6H2,1H3,(H3,23,24,25,28)
InChIKeyPCDZFTLLEYFOPS-UHFFFAOYSA-N
XLogP4.00
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((dimethylamino)methyl)phenoxy)acetamide
CID 16654984
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((ethylamino)methyl)phenoxy)acetamide
CID 24739307
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((ethyl(methyl)amino)methyl)phenoxy)acetamide
CID 24739646
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-(2-(dimethylamino)ethyl)phenoxy)acetamide
CID 24739648
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((dimethylamino)methyl)-5-fluorophenoxy)acetamide
CID 24739814
5-(2-furyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1223566
2-(3-(aminomethyl)phenoxy)-N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)acetamide
CID 44448051
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 44454568
2-[4-[(dimethylamino)methyl]phenyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
CID 44454569
5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazol-4-yl]-amide
CID 651382
US11583532, Example 2.1
CID 150754482
5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [1-(4-methyl-benzyl)-1H-pyrazol-3-yl]-amide
CID 1165076

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorocyclohepta-1,3,5-triene-1-carboxamide?
The IUPAC name of N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorocyclohepta-1,3,5-triene-1-carboxamide (CID 123274864) is N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorocyclohepta-1,3,5-triene-1-carboxamide.
What is the SMILES notation for N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorocyclohepta-1,3,5-triene-1-carboxamide?
The canonical SMILES for N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorocyclohepta-1,3,5-triene-1-carboxamide is Cn1nc(-c2ccco2)cc1-c1ccc(NC(=O)C2=C(F)C=CC=CC2)nc1N.
What is the InChIKey of N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorocyclohepta-1,3,5-triene-1-carboxamide?
The InChIKey is PCDZFTLLEYFOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-27-17(12-16(26-27)18-8-5-11-29-18)14-9-10-19(24-20(14)23)25-21(28)13-6-3-2-4-7-15(13)22/h2-5,7-12H,6H2,1H3,(H3,23,24,25,28).
What are the key properties of N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorocyclohepta-1,3,5-triene-1-carboxamide?
N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorocyclohepta-1,3,5-triene-1-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorocyclohepta-1,3,5-triene-1-carboxamide is sourced from PubChem (CID 123274864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).