N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide

C26H26N6O2 — CID 135501830

IUPACN-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4[nH]ncc4NC(=O)C4CC4c4ccccc4)nc3cc21
InChIInChI=1S/C26H26N6O2/c1-4-32-21-12-19-18(11-17(21)26(2,3)25(32)34)28-23(29-19)22-20(13-27-31-22)30-24(33)16-10-15(16)14-8-6-5-7-9-14/h5-9,11-13,15-16H,4,10H2,1-3H3,(H,27,31)(H,28,29)(H,30,33)
InChIKeySXKRJEAXHRZUMA-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.34
Rot. Bonds5

About N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide

N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 135501830) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
PubChem CID135501830
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC NameN-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4[nH]ncc4NC(=O)C4CC4c4ccccc4)nc3cc21
InChIInChI=1S/C26H26N6O2/c1-4-32-21-12-19-18(11-17(21)26(2,3)25(32)34)28-23(29-19)22-20(13-27-31-22)30-24(33)16-10-15(16)14-8-6-5-7-9-14/h5-9,11-13,15-16H,4,10H2,1-3H3,(H,27,31)(H,28,29)(H,30,33)
InChIKeySXKRJEAXHRZUMA-UHFFFAOYSA-N
XLogP4.34
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide (CID 135501830) is N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide is CCN1C(=O)C(C)(C)c2cc3[nH]c(-c4[nH]ncc4NC(=O)C4CC4c4ccccc4)nc3cc21.
What is the InChIKey of N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is SXKRJEAXHRZUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-4-32-21-12-19-18(11-17(21)26(2,3)25(32)34)28-23(29-19)22-20(13-27-31-22)30-24(33)16-10-15(16)14-8-6-5-7-9-14/h5-9,11-13,15-16H,4,10H2,1-3H3,(H,27,31)(H,28,29)(H,30,33).
What are the key properties of N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 135501830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).