N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-1-benzofuran-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one

C27H35FN4O3 — CID 176933698

IUPACN-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-1-benzofuran-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
SMILESCC(C)c1ccc(F)c2cc(C(=O)N(C)C3CC3)oc12.O=C(CCn1cccn1)N1CCCCC1
InChIInChI=1S/C16H18FNO2.C11H17N3O/c1-9(2)11-6-7-13(17)12-8-14(20-15(11)12)16(19)18(3)10-4-5-10;15-11(13-7-2-1-3-8-13)5-10-14-9-4-6-12-14/h6-10H,4-5H2,1-3H3;4,6,9H,1-3,5,7-8,10H2
InChIKeyRNYRIQWYLPVLTL-UHFFFAOYSA-N
MW482.60 g/mol
LogP5.22
Rot. Bonds6

About N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-1-benzofuran-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one

N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-1-benzofuran-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one (PubChem CID 176933698) has the molecular formula C27H35FN4O3 and a molecular weight of 482.60 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-1-benzofuran-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-1-benzofuran-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
PubChem CID176933698
Molecular FormulaC27H35FN4O3
Molecular Weight482.60 g/mol
Exact Mass482.27
IUPAC NameN-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-1-benzofuran-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
SMILESCC(C)c1ccc(F)c2cc(C(=O)N(C)C3CC3)oc12.O=C(CCn1cccn1)N1CCCCC1
InChIInChI=1S/C16H18FNO2.C11H17N3O/c1-9(2)11-6-7-13(17)12-8-14(20-15(11)12)16(19)18(3)10-4-5-10;15-11(13-7-2-1-3-8-13)5-10-14-9-4-6-12-14/h6-10H,4-5H2,1-3H3;4,6,9H,1-3,5,7-8,10H2
InChIKeyRNYRIQWYLPVLTL-UHFFFAOYSA-N
XLogP5.22
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.60
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-cyclopropyl-7-ethyl-4-fluoro-N-methyl-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 176931722
N-cyclopropyl-7-fluoro-N-methyl-4-propan-2-yl-1-benzothiophene-2-carboxamide;1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one
CID 176933504
N-cyclopropyl-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
CID 176933073
1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 176931568
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
4-chloro-7-fluoro-1H-indole-2-carboxylic acid;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 177170280
N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 154796728
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
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 111434248
3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 42286062
1-[7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 45182681
1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71934218

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-1-benzofuran-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 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) is N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-1-benzofuran-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-1-benzofuran-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-1-benzofuran-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one is CC(C)c1ccc(F)c2cc(C(=O)N(C)C3CC3)oc12.O=C(CCn1cccn1)N1CCCCC1.
What is the InChIKey of N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-1-benzofuran-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one?
The InChIKey is RNYRIQWYLPVLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2.C11H17N3O/c1-9(2)11-6-7-13(17)12-8-14(20-15(11)12)16(19)18(3)10-4-5-10;15-11(13-7-2-1-3-8-13)5-10-14-9-4-6-12-14/h6-10H,4-5H2,1-3H3;4,6,9H,1-3,5,7-8,10H2.
What are the key properties of N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-1-benzofuran-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one?
N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-1-benzofuran-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one has a molecular weight of 482.60 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-1-benzofuran-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 176933698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).