2-[7-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazol-3-yl]-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-1H-imidazo[4,5-c]pyridin-4-amine

About 2-[7-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazol-3-yl]-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-1H-imidazo[4,5-c]pyridin-4-amine

2-[7-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazol-3-yl]-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-1H-imidazo[4,5-c]pyridin-4-amine (PubChem CID 137255099) has the molecular formula C26H26FN9 and a molecular weight of 483.56 g/mol. Its IUPAC name is 2-[7-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazol-3-yl]-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-1H-imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name	2-[7-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazol-3-yl]-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-1H-imidazo[4,5-c]pyridin-4-amine
PubChem CID	137255099
Molecular Formula	C26H26FN9
Molecular Weight	483.56 g/mol
Exact Mass	483.23
IUPAC Name	2-[7-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazol-3-yl]-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-1H-imidazo[4,5-c]pyridin-4-amine
SMILES	C=N/C(C)=C\N(C)c1nccc2[nH]c(-c3[nH]nc4c(F)cc(-c5cncc(NC(C)C)c5)cc34)nc12
InChI	InChI=1S/C26H26FN9/c1-14(2)31-18-8-17(11-29-12-18)16-9-19-22(20(27)10-16)34-35-23(19)25-32-21-6-7-30-26(24(21)33-25)36(5)13-15(3)28-4/h6-14,31H,4H2,1-3,5H3,(H,32,33)(H,34,35)/b15-13-
InChIKey	GASICIJVNKYPEF-SQFISAMPSA-N
XLogP	5.52
TPSA	110.77 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.56
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazol-3-yl]-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-1H-imidazo[4,5-c]pyridin-4-amine?

The IUPAC name of 2-[7-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazol-3-yl]-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-1H-imidazo[4,5-c]pyridin-4-amine (CID 137255099) is 2-[7-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazol-3-yl]-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-1H-imidazo[4,5-c]pyridin-4-amine.

What is the SMILES notation for 2-[7-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazol-3-yl]-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-1H-imidazo[4,5-c]pyridin-4-amine?

The canonical SMILES for 2-[7-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazol-3-yl]-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-1H-imidazo[4,5-c]pyridin-4-amine is C=N/C(C)=C\N(C)c1nccc2[nH]c(-c3[nH]nc4c(F)cc(-c5cncc(NC(C)C)c5)cc34)nc12.

What is the InChIKey of 2-[7-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazol-3-yl]-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-1H-imidazo[4,5-c]pyridin-4-amine?

The InChIKey is GASICIJVNKYPEF-SQFISAMPSA-N. The full InChI is InChI=1S/C26H26FN9/c1-14(2)31-18-8-17(11-29-12-18)16-9-19-22(20(27)10-16)34-35-23(19)25-32-21-6-7-30-26(24(21)33-25)36(5)13-15(3)28-4/h6-14,31H,4H2,1-3,5H3,(H,32,33)(H,34,35)/b15-13-.

What are the key properties of 2-[7-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazol-3-yl]-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-1H-imidazo[4,5-c]pyridin-4-amine?

2-[7-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazol-3-yl]-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-1H-imidazo[4,5-c]pyridin-4-amine has a molecular weight of 483.56 g/mol, XLogP of 5.52, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazol-3-yl]-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-1H-imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 137255099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).