4-[5-fluoro-7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine

C22H24FN7 — CID 162687549

IUPAC4-[5-fluoro-7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine
SMILESCN1CCN(C2CC(F)=Nc3c2[nH]c(-c2ccnc(N)c2)c3-c2ccccn2)CC1
InChIInChI=1S/C22H24FN7/c1-29-8-10-30(11-9-29)16-13-17(23)27-22-19(15-4-2-3-6-25-15)20(28-21(16)22)14-5-7-26-18(24)12-14/h2-7,12,16,28H,8-11,13H2,1H3,(H2,24,26)
InChIKeyXRNYQRWVVCSGQT-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.41
Rot. Bonds3

About 4-[5-fluoro-7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine

4-[5-fluoro-7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 162687549) has the molecular formula C22H24FN7 and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-[5-fluoro-7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-fluoro-7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine
PubChem CID162687549
Molecular FormulaC22H24FN7
Molecular Weight405.48 g/mol
Exact Mass405.21
IUPAC Name4-[5-fluoro-7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine
SMILESCN1CCN(C2CC(F)=Nc3c2[nH]c(-c2ccnc(N)c2)c3-c2ccccn2)CC1
InChIInChI=1S/C22H24FN7/c1-29-8-10-30(11-9-29)16-13-17(23)27-22-19(15-4-2-3-6-25-15)20(28-21(16)22)14-5-7-26-18(24)12-14/h2-7,12,16,28H,8-11,13H2,1H3,(H2,24,26)
InChIKeyXRNYQRWVVCSGQT-UHFFFAOYSA-N
XLogP3.41
TPSA86.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-fluoro-7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine with MolForge

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Related Compounds

4-[7-(2,2-difluoroethoxy)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine
CID 162687589
2-(2-amino-4-pyridinyl)-5-methyl-3-phenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
CID 162686954
4-(1-methylimidazol-4-yl)pyridin-2-amine
CID 130509091
4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 170593233
5-cyclopropyl-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521158
2-(1-methylpiperazin-2-yl)-4-pyridin-2-ylpyrimidine
CID 116901846
(2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 95821022
3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80522025
2-(2-amino-4-pyridinyl)-5-cyclopropyl-3-phenyl-1H-pyrrolo[3,2-c]pyridin-4-one
CID 162687131
4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine
CID 170641339
2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one
CID 134582000
2-(2-bromo-4-pyridinyl)-7-(cyclopropylmethyl)-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine
CID 162687546

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 4-[5-fluoro-7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine (CID 162687549) is 4-[5-fluoro-7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-[5-fluoro-7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 4-[5-fluoro-7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine is CN1CCN(C2CC(F)=Nc3c2[nH]c(-c2ccnc(N)c2)c3-c2ccccn2)CC1.
What is the InChIKey of 4-[5-fluoro-7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is XRNYQRWVVCSGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7/c1-29-8-10-30(11-9-29)16-13-17(23)27-22-19(15-4-2-3-6-25-15)20(28-21(16)22)14-5-7-26-18(24)12-14/h2-7,12,16,28H,8-11,13H2,1H3,(H2,24,26).
What are the key properties of 4-[5-fluoro-7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine?
4-[5-fluoro-7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 405.48 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 162687549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).