N-[5-[(Z)-N-cyclopropyliminocarbamohydrazonoyl]-2-methyl-3-pyridinyl]-6-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide

C25H27F2N9O2 — CID 176623814

IUPACN-[5-[(Z)-N-cyclopropyliminocarbamohydrazonoyl]-2-methyl-3-pyridinyl]-6-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ncc(C(=N/N)/N=N/C2CC2)cc1NC(=O)c1cnc2ccc(N3CC4(C3)CC(O)(C(F)F)C4)cn12
InChIInChI=1S/C25H27F2N9O2/c1-14-18(6-15(7-29-14)21(32-28)34-33-16-2-3-16)31-22(37)19-8-30-20-5-4-17(9-36(19)20)35-12-24(13-35)10-25(38,11-24)23(26)27/h4-9,16,23,38H,2-3,10-13,28H2,1H3,(H,31,37)/b32-21-,34-33+
InChIKeyIPUWHNBOBJMIFC-WYWFEXDASA-N
MW523.55 g/mol
LogP3.12
Rot. Bonds6

About N-[5-[(Z)-N-cyclopropyliminocarbamohydrazonoyl]-2-methyl-3-pyridinyl]-6-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[(Z)-N-cyclopropyliminocarbamohydrazonoyl]-2-methyl-3-pyridinyl]-6-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 176623814) has the molecular formula C25H27F2N9O2 and a molecular weight of 523.55 g/mol. Its IUPAC name is N-[5-[(Z)-N-cyclopropyliminocarbamohydrazonoyl]-2-methyl-3-pyridinyl]-6-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(Z)-N-cyclopropyliminocarbamohydrazonoyl]-2-methyl-3-pyridinyl]-6-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID176623814
Molecular FormulaC25H27F2N9O2
Molecular Weight523.55 g/mol
Exact Mass523.23
IUPAC NameN-[5-[(Z)-N-cyclopropyliminocarbamohydrazonoyl]-2-methyl-3-pyridinyl]-6-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ncc(C(=N/N)/N=N/C2CC2)cc1NC(=O)c1cnc2ccc(N3CC4(C3)CC(O)(C(F)F)C4)cn12
InChIInChI=1S/C25H27F2N9O2/c1-14-18(6-15(7-29-14)21(32-28)34-33-16-2-3-16)31-22(37)19-8-30-20-5-4-17(9-36(19)20)35-12-24(13-35)10-25(38,11-24)23(26)27/h4-9,16,23,38H,2-3,10-13,28H2,1H3,(H,31,37)/b32-21-,34-33+
InChIKeyIPUWHNBOBJMIFC-WYWFEXDASA-N
XLogP3.12
TPSA145.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.55
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-N-cyclopropyliminocarbamohydrazonoyl]-2-methyl-3-pyridinyl]-6-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[(Z)-N-cyclopropyliminocarbamohydrazonoyl]-2-methyl-3-pyridinyl]-6-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 176623814) is N-[5-[(Z)-N-cyclopropyliminocarbamohydrazonoyl]-2-methyl-3-pyridinyl]-6-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(Z)-N-cyclopropyliminocarbamohydrazonoyl]-2-methyl-3-pyridinyl]-6-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(Z)-N-cyclopropyliminocarbamohydrazonoyl]-2-methyl-3-pyridinyl]-6-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ncc(C(=N/N)/N=N/C2CC2)cc1NC(=O)c1cnc2ccc(N3CC4(C3)CC(O)(C(F)F)C4)cn12.
What is the InChIKey of N-[5-[(Z)-N-cyclopropyliminocarbamohydrazonoyl]-2-methyl-3-pyridinyl]-6-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is IPUWHNBOBJMIFC-WYWFEXDASA-N. The full InChI is InChI=1S/C25H27F2N9O2/c1-14-18(6-15(7-29-14)21(32-28)34-33-16-2-3-16)31-22(37)19-8-30-20-5-4-17(9-36(19)20)35-12-24(13-35)10-25(38,11-24)23(26)27/h4-9,16,23,38H,2-3,10-13,28H2,1H3,(H,31,37)/b32-21-,34-33+.
What are the key properties of N-[5-[(Z)-N-cyclopropyliminocarbamohydrazonoyl]-2-methyl-3-pyridinyl]-6-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[(Z)-N-cyclopropyliminocarbamohydrazonoyl]-2-methyl-3-pyridinyl]-6-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 523.55 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-N-cyclopropyliminocarbamohydrazonoyl]-2-methyl-3-pyridinyl]-6-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 176623814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).