[4-(2,4-difluoroanilino)-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone

C18H16F2N4O2 — CID 143151675

IUPAC[4-(2,4-difluoroanilino)-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(Nc2ccc(F)cc2F)c2cc[nH]c12)N1CCOCC1
InChIInChI=1S/C18H16F2N4O2/c19-11-1-2-15(14(20)9-11)23-17-12-3-4-21-16(12)13(10-22-17)18(25)24-5-7-26-8-6-24/h1-4,9-10,21H,5-8H2,(H,22,23)
InChIKeyPRFSGEOIOGZSDN-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.06
Rot. Bonds3

About [4-(2,4-difluoroanilino)-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone

[4-(2,4-difluoroanilino)-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone (PubChem CID 143151675) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is [4-(2,4-difluoroanilino)-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2,4-difluoroanilino)-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone
PubChem CID143151675
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name[4-(2,4-difluoroanilino)-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(Nc2ccc(F)cc2F)c2cc[nH]c12)N1CCOCC1
InChIInChI=1S/C18H16F2N4O2/c19-11-1-2-15(14(20)9-11)23-17-12-3-4-21-16(12)13(10-22-17)18(25)24-5-7-26-8-6-24/h1-4,9-10,21H,5-8H2,(H,22,23)
InChIKeyPRFSGEOIOGZSDN-UHFFFAOYSA-N
XLogP3.06
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluoroanilino)-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2,4-difluoroanilino)-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone (CID 143151675) is [4-(2,4-difluoroanilino)-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2,4-difluoroanilino)-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2,4-difluoroanilino)-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone is O=C(c1cnc(Nc2ccc(F)cc2F)c2cc[nH]c12)N1CCOCC1.
What is the InChIKey of [4-(2,4-difluoroanilino)-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone?
The InChIKey is PRFSGEOIOGZSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c19-11-1-2-15(14(20)9-11)23-17-12-3-4-21-16(12)13(10-22-17)18(25)24-5-7-26-8-6-24/h1-4,9-10,21H,5-8H2,(H,22,23).
What are the key properties of [4-(2,4-difluoroanilino)-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone?
[4-(2,4-difluoroanilino)-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone has a molecular weight of 358.35 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluoroanilino)-1H-pyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 143151675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).