N-(5-fluoro-2-pyridinyl)-2-[(4Z)-4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl]oxyacetamide

C23H16FN5O4 — CID 89115632

IUPACN-(5-fluoro-2-pyridinyl)-2-[(4Z)-4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl]oxyacetamide
SMILESO=C(COc1ccc2oc(-c3cc4cccn4cn3)c/c(=N/O)c2c1)Nc1ccc(F)cn1
InChIInChI=1S/C23H16FN5O4/c24-14-3-6-22(25-11-14)27-23(30)12-32-16-4-5-20-17(9-16)18(28-31)10-21(33-20)19-8-15-2-1-7-29(15)13-26-19/h1-11,13,31H,12H2,(H,25,27,30)/b28-18-
InChIKeyCCXIQLLVHAOWCA-VEILYXNESA-N
MW445.41 g/mol
LogP3.59
Rot. Bonds5

About N-(5-fluoro-2-pyridinyl)-2-[(4Z)-4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl]oxyacetamide

N-(5-fluoro-2-pyridinyl)-2-[(4Z)-4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl]oxyacetamide (PubChem CID 89115632) has the molecular formula C23H16FN5O4 and a molecular weight of 445.41 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2-[(4Z)-4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl]oxyacetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-2-[(4Z)-4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl]oxyacetamide
PubChem CID89115632
Molecular FormulaC23H16FN5O4
Molecular Weight445.41 g/mol
Exact Mass445.12
IUPAC NameN-(5-fluoro-2-pyridinyl)-2-[(4Z)-4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl]oxyacetamide
SMILESO=C(COc1ccc2oc(-c3cc4cccn4cn3)c/c(=N/O)c2c1)Nc1ccc(F)cn1
InChIInChI=1S/C23H16FN5O4/c24-14-3-6-22(25-11-14)27-23(30)12-32-16-4-5-20-17(9-16)18(28-31)10-21(33-20)19-8-15-2-1-7-29(15)13-26-19/h1-11,13,31H,12H2,(H,25,27,30)/b28-18-
InChIKeyCCXIQLLVHAOWCA-VEILYXNESA-N
XLogP3.59
TPSA114.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2-[(4Z)-4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl]oxyacetamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-2-[(4Z)-4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl]oxyacetamide (CID 89115632) is N-(5-fluoro-2-pyridinyl)-2-[(4Z)-4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl]oxyacetamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2-[(4Z)-4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl]oxyacetamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2-[(4Z)-4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl]oxyacetamide is O=C(COc1ccc2oc(-c3cc4cccn4cn3)c/c(=N/O)c2c1)Nc1ccc(F)cn1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2-[(4Z)-4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl]oxyacetamide?
The InChIKey is CCXIQLLVHAOWCA-VEILYXNESA-N. The full InChI is InChI=1S/C23H16FN5O4/c24-14-3-6-22(25-11-14)27-23(30)12-32-16-4-5-20-17(9-16)18(28-31)10-21(33-20)19-8-15-2-1-7-29(15)13-26-19/h1-11,13,31H,12H2,(H,25,27,30)/b28-18-.
What are the key properties of N-(5-fluoro-2-pyridinyl)-2-[(4Z)-4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl]oxyacetamide?
N-(5-fluoro-2-pyridinyl)-2-[(4Z)-4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl]oxyacetamide has a molecular weight of 445.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-2-[(4Z)-4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl]oxyacetamide is sourced from PubChem (CID 89115632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).