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

C23H27N5O2 — CID 171441647

IUPAC(3R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyloxolane-3-carboxamide
SMILESCc1cc2[nH]c(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)nc2cc1N(C)C(=O)[C@@H]1CCOC1
InChIInChI=1S/C23H27N5O2/c1-12-6-16-17(8-19(12)28(3)22(29)13-4-5-30-11-13)25-21(24-16)20-15-7-14-9-23(14,2)10-18(15)26-27-20/h6,8,13-14H,4-5,7,9-11H2,1-3H3,(H,24,25)(H,26,27)/t13-,14-,23-/m1/s1
InChIKeyRSNKHOKCLSQMLV-GJDIJTJZSA-N
MW405.50 g/mol
LogP3.39
Rot. Bonds3

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

(3R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyloxolane-3-carboxamide (PubChem CID 171441647) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (3R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyloxolane-3-carboxamide
PubChem CID171441647
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name(3R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyloxolane-3-carboxamide
SMILESCc1cc2[nH]c(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)nc2cc1N(C)C(=O)[C@@H]1CCOC1
InChIInChI=1S/C23H27N5O2/c1-12-6-16-17(8-19(12)28(3)22(29)13-4-5-30-11-13)25-21(24-16)20-15-7-14-9-23(14,2)10-18(15)26-27-20/h6,8,13-14H,4-5,7,9-11H2,1-3H3,(H,24,25)(H,26,27)/t13-,14-,23-/m1/s1
InChIKeyRSNKHOKCLSQMLV-GJDIJTJZSA-N
XLogP3.39
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyloxolane-3-carboxamide?
The IUPAC name of (3R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyloxolane-3-carboxamide (CID 171441647) is (3R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyloxolane-3-carboxamide is Cc1cc2[nH]c(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)nc2cc1N(C)C(=O)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyloxolane-3-carboxamide?
The InChIKey is RSNKHOKCLSQMLV-GJDIJTJZSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-12-6-16-17(8-19(12)28(3)22(29)13-4-5-30-11-13)25-21(24-16)20-15-7-14-9-23(14,2)10-18(15)26-27-20/h6,8,13-14H,4-5,7,9-11H2,1-3H3,(H,24,25)(H,26,27)/t13-,14-,23-/m1/s1.
What are the key properties of (3R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyloxolane-3-carboxamide?
(3R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyloxolane-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 171441647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).