N-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide

C26H31FN4O3 — CID 176931722

IUPACN-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide
SMILESCCc1cc(C2CCCN(C(=O)CCn3cccn3)C2)c(F)c2cc(C(=O)N(C)C3CC3)oc12
InChIInChI=1S/C26H31FN4O3/c1-3-17-14-20(18-6-4-11-30(16-18)23(32)9-13-31-12-5-10-28-31)24(27)21-15-22(34-25(17)21)26(33)29(2)19-7-8-19/h5,10,12,14-15,18-19H,3-4,6-9,11,13,16H2,1-2H3
InChIKeyYTCLSBSNBDISRW-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.36
Rot. Bonds7

About N-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide

N-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 176931722) has the molecular formula C26H31FN4O3 and a molecular weight of 466.56 g/mol. Its IUPAC name is N-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide
PubChem CID176931722
Molecular FormulaC26H31FN4O3
Molecular Weight466.56 g/mol
Exact Mass466.24
IUPAC NameN-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide
SMILESCCc1cc(C2CCCN(C(=O)CCn3cccn3)C2)c(F)c2cc(C(=O)N(C)C3CC3)oc12
InChIInChI=1S/C26H31FN4O3/c1-3-17-14-20(18-6-4-11-30(16-18)23(32)9-13-31-12-5-10-28-31)24(27)21-15-22(34-25(17)21)26(33)29(2)19-7-8-19/h5,10,12,14-15,18-19H,3-4,6-9,11,13,16H2,1-2H3
InChIKeyYTCLSBSNBDISRW-UHFFFAOYSA-N
XLogP4.36
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-1-benzofuran-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 176933698
7-ethyl-4-fluoro-N,N-dimethyl-5-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 176933384
4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
CID 177171027
N-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
CID 176933073
4-chloro-7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxylic acid
CID 177170580
7-fluoro-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 176931616
N-cyclopropyl-6-[(3S)-1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]piperidin-3-yl]-4-ethyl-7-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 176933016
1-[(3S)-3-[7-fluoro-2-(piperidine-1-carbonyl)-4-propan-2-yl-1H-indol-6-yl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 176931731
1-[(3S)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 92588608
1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 110235817
1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 95557612
3-pyrazol-1-yl-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92615570

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide (CID 176931722) is N-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide is CCc1cc(C2CCCN(C(=O)CCn3cccn3)C2)c(F)c2cc(C(=O)N(C)C3CC3)oc12.
What is the InChIKey of N-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is YTCLSBSNBDISRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3/c1-3-17-14-20(18-6-4-11-30(16-18)23(32)9-13-31-12-5-10-28-31)24(27)21-15-22(34-25(17)21)26(33)29(2)19-7-8-19/h5,10,12,14-15,18-19H,3-4,6-9,11,13,16H2,1-2H3.
What are the key properties of N-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide?
N-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 176931722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).