N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methoxy-3H-benzimidazol-5-yl]-N-methylacetamide

C20H23N5O2 — CID 171441648

IUPACN-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methoxy-3H-benzimidazol-5-yl]-N-methylacetamide
SMILESCOc1cc2nc(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)[nH]c2cc1N(C)C(C)=O
InChIInChI=1S/C20H23N5O2/c1-10(26)25(3)16-6-13-14(7-17(16)27-4)22-19(21-13)18-12-5-11-8-20(11,2)9-15(12)23-24-18/h6-7,11H,5,8-9H2,1-4H3,(H,21,22)(H,23,24)/t11-,20-/m1/s1
InChIKeyFNHZRBZQPIDQHC-BIBXISHDSA-N
MW365.44 g/mol
LogP3.07
Rot. Bonds3

About N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methoxy-3H-benzimidazol-5-yl]-N-methylacetamide

N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methoxy-3H-benzimidazol-5-yl]-N-methylacetamide (PubChem CID 171441648) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methoxy-3H-benzimidazol-5-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methoxy-3H-benzimidazol-5-yl]-N-methylacetamide
PubChem CID171441648
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methoxy-3H-benzimidazol-5-yl]-N-methylacetamide
SMILESCOc1cc2nc(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)[nH]c2cc1N(C)C(C)=O
InChIInChI=1S/C20H23N5O2/c1-10(26)25(3)16-6-13-14(7-17(16)27-4)22-19(21-13)18-12-5-11-8-20(11,2)9-15(12)23-24-18/h6-7,11H,5,8-9H2,1-4H3,(H,21,22)(H,23,24)/t11-,20-/m1/s1
InChIKeyFNHZRBZQPIDQHC-BIBXISHDSA-N
XLogP3.07
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methoxy-3H-benzimidazol-5-yl]-N-methylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methoxy-3H-benzimidazol-5-yl]-N-methylacetamide?
The IUPAC name of N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methoxy-3H-benzimidazol-5-yl]-N-methylacetamide (CID 171441648) is N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methoxy-3H-benzimidazol-5-yl]-N-methylacetamide.
What is the SMILES notation for N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methoxy-3H-benzimidazol-5-yl]-N-methylacetamide?
The canonical SMILES for N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methoxy-3H-benzimidazol-5-yl]-N-methylacetamide is COc1cc2nc(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)[nH]c2cc1N(C)C(C)=O.
What is the InChIKey of N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methoxy-3H-benzimidazol-5-yl]-N-methylacetamide?
The InChIKey is FNHZRBZQPIDQHC-BIBXISHDSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-10(26)25(3)16-6-13-14(7-17(16)27-4)22-19(21-13)18-12-5-11-8-20(11,2)9-15(12)23-24-18/h6-7,11H,5,8-9H2,1-4H3,(H,21,22)(H,23,24)/t11-,20-/m1/s1.
What are the key properties of N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methoxy-3H-benzimidazol-5-yl]-N-methylacetamide?
N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methoxy-3H-benzimidazol-5-yl]-N-methylacetamide has a molecular weight of 365.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methoxy-3H-benzimidazol-5-yl]-N-methylacetamide is sourced from PubChem (CID 171441648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).