[4-[3-chloro-4-[fluoro-bis(phosphanyl)methoxy]anilino]-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone

C19H20ClFN4O3P2 — CID 143151589

IUPAC[4-[3-chloro-4-[fluoro-bis(phosphanyl)methoxy]anilino]-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(Nc2ccc(OC(F)(P)P)c(Cl)c2)c2cc[nH]c12)N1CCOCC1
InChIInChI=1S/C19H20ClFN4O3P2/c20-14-9-11(1-2-15(14)28-19(21,29)30)24-17-12-3-4-22-16(12)13(10-23-17)18(26)25-5-7-27-8-6-25/h1-4,9-10,22H,5-8,29-30H2,(H,23,24)
InChIKeyVRFPFSKODXTRET-UHFFFAOYSA-N
MW468.79 g/mol
LogP4.14
Rot. Bonds5

About [4-[3-chloro-4-[fluoro-bis(phosphanyl)methoxy]anilino]-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone

[4-[3-chloro-4-[fluoro-bis(phosphanyl)methoxy]anilino]-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone (PubChem CID 143151589) has the molecular formula C19H20ClFN4O3P2 and a molecular weight of 468.79 g/mol. Its IUPAC name is [4-[3-chloro-4-[fluoro-bis(phosphanyl)methoxy]anilino]-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-chloro-4-[fluoro-bis(phosphanyl)methoxy]anilino]-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone
PubChem CID143151589
Molecular FormulaC19H20ClFN4O3P2
Molecular Weight468.79 g/mol
Exact Mass468.07
IUPAC Name[4-[3-chloro-4-[fluoro-bis(phosphanyl)methoxy]anilino]-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(Nc2ccc(OC(F)(P)P)c(Cl)c2)c2cc[nH]c12)N1CCOCC1
InChIInChI=1S/C19H20ClFN4O3P2/c20-14-9-11(1-2-15(14)28-19(21,29)30)24-17-12-3-4-22-16(12)13(10-23-17)18(26)25-5-7-27-8-6-25/h1-4,9-10,22H,5-8,29-30H2,(H,23,24)
InChIKeyVRFPFSKODXTRET-UHFFFAOYSA-N
XLogP4.14
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.79
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-chloro-4-(trifluoromethoxy)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 68867690
[4-(2,4-difluoroanilino)-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone
CID 143151675
[4-(3-chloro-4-methoxyanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 68868688
[4-[4-chloro-3-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 68867250
[1-(3,5-dichloroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanone
CID 56960201
[4-(3-chloro-4-methoxyanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride
CID 68867364
[4-[3,5-bis(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 87607051
3-[[5-methyl-4-(morpholine-4-carbonyl)isoquinolin-1-yl]amino]benzoic acid
CID 71186139
[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153498
[4-(3,4-dimethylanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 68866647
[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184666
[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276545

Frequently Asked Questions

What is the IUPAC name of [4-[3-chloro-4-[fluoro-bis(phosphanyl)methoxy]anilino]-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[3-chloro-4-[fluoro-bis(phosphanyl)methoxy]anilino]-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone (CID 143151589) is [4-[3-chloro-4-[fluoro-bis(phosphanyl)methoxy]anilino]-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[3-chloro-4-[fluoro-bis(phosphanyl)methoxy]anilino]-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[3-chloro-4-[fluoro-bis(phosphanyl)methoxy]anilino]-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone is O=C(c1cnc(Nc2ccc(OC(F)(P)P)c(Cl)c2)c2cc[nH]c12)N1CCOCC1.
What is the InChIKey of [4-[3-chloro-4-[fluoro-bis(phosphanyl)methoxy]anilino]-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone?
The InChIKey is VRFPFSKODXTRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O3P2/c20-14-9-11(1-2-15(14)28-19(21,29)30)24-17-12-3-4-22-16(12)13(10-23-17)18(26)25-5-7-27-8-6-25/h1-4,9-10,22H,5-8,29-30H2,(H,23,24).
What are the key properties of [4-[3-chloro-4-[fluoro-bis(phosphanyl)methoxy]anilino]-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone?
[4-[3-chloro-4-[fluoro-bis(phosphanyl)methoxy]anilino]-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone has a molecular weight of 468.79 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-chloro-4-[fluoro-bis(phosphanyl)methoxy]anilino]-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 143151589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).