N-[4-[(4aS,5aR)-5a-methyl-4,6-dioxo-3-(2-phenylethyl)-4a,5-dihydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide

C28H25N5O3 — CID 126560159

IUPACN-[4-[(4aS,5aR)-5a-methyl-4,6-dioxo-3-(2-phenylethyl)-4a,5-dihydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cc(-c3[nH]c4c(c3CCc3ccccc3)C(=O)[C@H]3C[C@@]3(C)C4=O)ccn2)n1
InChIInChI=1S/C28H25N5O3/c1-28-15-19(28)25(34)22-18(9-8-16-6-4-3-5-7-16)23(31-24(22)26(28)35)17-10-12-29-21(14-17)30-27(36)20-11-13-33(2)32-20/h3-7,10-14,19,31H,8-9,15H2,1-2H3,(H,29,30,36)/t19-,28-/m1/s1
InChIKeyYNWRSFQXMIIVJS-WHLCRQNOSA-N
MW479.54 g/mol
LogP4.25
Rot. Bonds6

About N-[4-[(4aS,5aR)-5a-methyl-4,6-dioxo-3-(2-phenylethyl)-4a,5-dihydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide

N-[4-[(4aS,5aR)-5a-methyl-4,6-dioxo-3-(2-phenylethyl)-4a,5-dihydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide (PubChem CID 126560159) has the molecular formula C28H25N5O3 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[4-[(4aS,5aR)-5a-methyl-4,6-dioxo-3-(2-phenylethyl)-4a,5-dihydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4aS,5aR)-5a-methyl-4,6-dioxo-3-(2-phenylethyl)-4a,5-dihydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide
PubChem CID126560159
Molecular FormulaC28H25N5O3
Molecular Weight479.54 g/mol
Exact Mass479.20
IUPAC NameN-[4-[(4aS,5aR)-5a-methyl-4,6-dioxo-3-(2-phenylethyl)-4a,5-dihydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cc(-c3[nH]c4c(c3CCc3ccccc3)C(=O)[C@H]3C[C@@]3(C)C4=O)ccn2)n1
InChIInChI=1S/C28H25N5O3/c1-28-15-19(28)25(34)22-18(9-8-16-6-4-3-5-7-16)23(31-24(22)26(28)35)17-10-12-29-21(14-17)30-27(36)20-11-13-33(2)32-20/h3-7,10-14,19,31H,8-9,15H2,1-2H3,(H,29,30,36)/t19-,28-/m1/s1
InChIKeyYNWRSFQXMIIVJS-WHLCRQNOSA-N
XLogP4.25
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(4aS,5aR)-5a-methyl-4,6-dioxo-3-(2-phenylethyl)-4a,5-dihydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

1-benzyl-N-[4-(3-benzyl-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 149463304
N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-triazole-4-carboxamide
CID 158370591
N-(4-bromo-2-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 102674262
N-[4-[(4aR,5aR)-3-benzyl-4-oxo-4a,5,5a,6-tetrahydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide
CID 148512859
N-[4-(3-benzyl-6-formyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]acetamide
CID 159115979
3-benzyl-2-[2-[(4-fluorobenzoyl)amino]-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide
CID 153167592
N-[4-[3-benzyl-6-(dimethylsulfamoyl)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide
CID 161145489
N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide
CID 159970460
cis-(1S,2S)-N-[4-[3-benzyl-6-(cyclopropanecarbonyl)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 159746949
N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(2-methylpyrazol-3-yl)acetamide
CID 161137170
3-benzyl-2-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-N,6-dimethyl-4-oxo-N-propyl-5,7-dihydro-1H-indole-6-carboxamide
CID 153140168
1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea
CID 149198875

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4aS,5aR)-5a-methyl-4,6-dioxo-3-(2-phenylethyl)-4a,5-dihydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[(4aS,5aR)-5a-methyl-4,6-dioxo-3-(2-phenylethyl)-4a,5-dihydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide (CID 126560159) is N-[4-[(4aS,5aR)-5a-methyl-4,6-dioxo-3-(2-phenylethyl)-4a,5-dihydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[(4aS,5aR)-5a-methyl-4,6-dioxo-3-(2-phenylethyl)-4a,5-dihydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[(4aS,5aR)-5a-methyl-4,6-dioxo-3-(2-phenylethyl)-4a,5-dihydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2cc(-c3[nH]c4c(c3CCc3ccccc3)C(=O)[C@H]3C[C@@]3(C)C4=O)ccn2)n1.
What is the InChIKey of N-[4-[(4aS,5aR)-5a-methyl-4,6-dioxo-3-(2-phenylethyl)-4a,5-dihydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is YNWRSFQXMIIVJS-WHLCRQNOSA-N. The full InChI is InChI=1S/C28H25N5O3/c1-28-15-19(28)25(34)22-18(9-8-16-6-4-3-5-7-16)23(31-24(22)26(28)35)17-10-12-29-21(14-17)30-27(36)20-11-13-33(2)32-20/h3-7,10-14,19,31H,8-9,15H2,1-2H3,(H,29,30,36)/t19-,28-/m1/s1.
What are the key properties of N-[4-[(4aS,5aR)-5a-methyl-4,6-dioxo-3-(2-phenylethyl)-4a,5-dihydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide?
N-[4-[(4aS,5aR)-5a-methyl-4,6-dioxo-3-(2-phenylethyl)-4a,5-dihydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4aS,5aR)-5a-methyl-4,6-dioxo-3-(2-phenylethyl)-4a,5-dihydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 126560159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).