2-(2-cyclopropyloxyethyl)-5-fluoro-N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]indazole-6-carboxamide

C23H26FN7O2 — CID 154991723

IUPAC2-(2-cyclopropyloxyethyl)-5-fluoro-N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]indazole-6-carboxamide
SMILES[H]/N=C(/c1cccc(NC(=O)c2cc3nn(CCOC4CC4)cc3cc2F)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C23H26FN7O2/c1-14(2)31(13-25)22(26)19-4-3-5-21(27-19)28-23(32)17-11-20-15(10-18(17)24)12-30(29-20)8-9-33-16-6-7-16/h3-5,10-14,16,25-26H,6-9H2,1-2H3,(H,27,28,32)/b25-13+,26-22-
InChIKeyKJLZXAWYVXXMOJ-LMLXIYPBSA-N
MW451.51 g/mol
LogP3.64
Rot. Bonds9

About 2-(2-cyclopropyloxyethyl)-5-fluoro-N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]indazole-6-carboxamide

2-(2-cyclopropyloxyethyl)-5-fluoro-N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]indazole-6-carboxamide (PubChem CID 154991723) has the molecular formula C23H26FN7O2 and a molecular weight of 451.51 g/mol. Its IUPAC name is 2-(2-cyclopropyloxyethyl)-5-fluoro-N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]indazole-6-carboxamide.

Molecular Properties

Compound Name2-(2-cyclopropyloxyethyl)-5-fluoro-N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]indazole-6-carboxamide
PubChem CID154991723
Molecular FormulaC23H26FN7O2
Molecular Weight451.51 g/mol
Exact Mass451.21
IUPAC Name2-(2-cyclopropyloxyethyl)-5-fluoro-N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]indazole-6-carboxamide
SMILES[H]/N=C(/c1cccc(NC(=O)c2cc3nn(CCOC4CC4)cc3cc2F)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C23H26FN7O2/c1-14(2)31(13-25)22(26)19-4-3-5-21(27-19)28-23(32)17-11-20-15(10-18(17)24)12-30(29-20)8-9-33-16-6-7-16/h3-5,10-14,16,25-26H,6-9H2,1-2H3,(H,27,28,32)/b25-13+,26-22-
InChIKeyKJLZXAWYVXXMOJ-LMLXIYPBSA-N
XLogP3.64
TPSA119.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]isoquinoline-3-carboxamide
CID 142483411
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide
CID 142442235
N-[4-(4-cyclopropylimidazol-1-yl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide
CID 142350849
N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-cyclopropyl-5-fluoro-1,3-benzothiazole-6-carboxamide
CID 142483454
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide
CID 142483504
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-(pyrrolidine-1-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 142483703
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3-benzothiazole-6-carboxamide
CID 142483500
N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 142483785
N-[4-(6-cyclopropyl-3-pyridinyl)-2-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide
CID 134533164
N-[6-(difluoromethyl)-2-pyridinyl]-6-methoxy-2-(2-methoxyethyl)indazole-5-carboxamide
CID 155438456
N-[5-(4-cyclopropylimidazol-1-yl)-3-pyridinyl]-6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)pyridine-2-carboxamide;molecular hydrogen
CID 142350834
3-(4-cyclopropylimidazol-1-yl)-N-[6-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)-2-pyridinyl]-2-methylbenzamide
CID 155359332

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyloxyethyl)-5-fluoro-N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]indazole-6-carboxamide?
The IUPAC name of 2-(2-cyclopropyloxyethyl)-5-fluoro-N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]indazole-6-carboxamide (CID 154991723) is 2-(2-cyclopropyloxyethyl)-5-fluoro-N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]indazole-6-carboxamide.
What is the SMILES notation for 2-(2-cyclopropyloxyethyl)-5-fluoro-N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]indazole-6-carboxamide?
The canonical SMILES for 2-(2-cyclopropyloxyethyl)-5-fluoro-N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]indazole-6-carboxamide is [H]/N=C(/c1cccc(NC(=O)c2cc3nn(CCOC4CC4)cc3cc2F)n1)N(/C=N/[H])C(C)C.
What is the InChIKey of 2-(2-cyclopropyloxyethyl)-5-fluoro-N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]indazole-6-carboxamide?
The InChIKey is KJLZXAWYVXXMOJ-LMLXIYPBSA-N. The full InChI is InChI=1S/C23H26FN7O2/c1-14(2)31(13-25)22(26)19-4-3-5-21(27-19)28-23(32)17-11-20-15(10-18(17)24)12-30(29-20)8-9-33-16-6-7-16/h3-5,10-14,16,25-26H,6-9H2,1-2H3,(H,27,28,32)/b25-13+,26-22-.
What are the key properties of 2-(2-cyclopropyloxyethyl)-5-fluoro-N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]indazole-6-carboxamide?
2-(2-cyclopropyloxyethyl)-5-fluoro-N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]indazole-6-carboxamide has a molecular weight of 451.51 g/mol, XLogP of 3.64, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyloxyethyl)-5-fluoro-N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]indazole-6-carboxamide is sourced from PubChem (CID 154991723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).