N-[1-(1H-imidazol-5-yl)ethyl]-3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carboxamide

C20H20F3N5O — CID 156500059

IUPACN-[1-(1H-imidazol-5-yl)ethyl]-3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carboxamide
SMILESCc1c(C2(c3ccc(C(F)(F)F)nc3)CC2)c[nH]c1C(=O)NC(C)c1cnc[nH]1
InChIInChI=1S/C20H20F3N5O/c1-11-14(8-26-17(11)18(29)28-12(2)15-9-24-10-27-15)19(5-6-19)13-3-4-16(25-7-13)20(21,22)23/h3-4,7-10,12,26H,5-6H2,1-2H3,(H,24,27)(H,28,29)
InChIKeySVOWCXKDGDALIF-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.03
Rot. Bonds5

About N-[1-(1H-imidazol-5-yl)ethyl]-3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carboxamide

N-[1-(1H-imidazol-5-yl)ethyl]-3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carboxamide (PubChem CID 156500059) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[1-(1H-imidazol-5-yl)ethyl]-3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-5-yl)ethyl]-3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carboxamide
PubChem CID156500059
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC NameN-[1-(1H-imidazol-5-yl)ethyl]-3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carboxamide
SMILESCc1c(C2(c3ccc(C(F)(F)F)nc3)CC2)c[nH]c1C(=O)NC(C)c1cnc[nH]1
InChIInChI=1S/C20H20F3N5O/c1-11-14(8-26-17(11)18(29)28-12(2)15-9-24-10-27-15)19(5-6-19)13-3-4-16(25-7-13)20(21,22)23/h3-4,7-10,12,26H,5-6H2,1-2H3,(H,24,27)(H,28,29)
InChIKeySVOWCXKDGDALIF-UHFFFAOYSA-N
XLogP4.03
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Difluoromethyl)-5-{[(2-Methylpropanoyl)amino]methyl}-N-{5-Methyl-4-[4-(Trifluoromethyl)phenyl]-1h-Imidazol-2-Yl}pyridine-3-Carboxamide
CID 71059525
Histidyltryptophyldiketopiperazine
CID 24066854
2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8i
CID 6539313
N-cyclopropyl-3-methyl-4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 154699462
MAT-POS-f2460aef-3
CID 156907054
N-ethyl-4-(2-phenylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137656009
5-methyl-N-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 71456664
5-methyl-N-(5-methyl-1H-imidazol-2-yl)-3-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 71462056
(4-isopropylpiperazin-1-yl)(5-(4-(trifluoromethyl)phenyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-imidazol-4-yl)methanone
CID 11635706
1h-Indole-2-carboxamide,n-[4-(1h-imidazol-1-yl)butyl]-
CID 20229525
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(pyridine-2-carbonyl)phenyl]methylidene]piperazine-2,5-dione
CID 53308083
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(pyridine-3-carbonyl)phenyl]methylidene]piperazine-2,5-dione
CID 53308084

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-5-yl)ethyl]-3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-(1H-imidazol-5-yl)ethyl]-3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carboxamide (CID 156500059) is N-[1-(1H-imidazol-5-yl)ethyl]-3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(1H-imidazol-5-yl)ethyl]-3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-(1H-imidazol-5-yl)ethyl]-3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carboxamide is Cc1c(C2(c3ccc(C(F)(F)F)nc3)CC2)c[nH]c1C(=O)NC(C)c1cnc[nH]1.
What is the InChIKey of N-[1-(1H-imidazol-5-yl)ethyl]-3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carboxamide?
The InChIKey is SVOWCXKDGDALIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-11-14(8-26-17(11)18(29)28-12(2)15-9-24-10-27-15)19(5-6-19)13-3-4-16(25-7-13)20(21,22)23/h3-4,7-10,12,26H,5-6H2,1-2H3,(H,24,27)(H,28,29).
What are the key properties of N-[1-(1H-imidazol-5-yl)ethyl]-3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carboxamide?
N-[1-(1H-imidazol-5-yl)ethyl]-3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-5-yl)ethyl]-3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 156500059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).