6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridin-2-amine

C24H25FN6O — CID 67201913

IUPAC6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridin-2-amine
SMILESCc1cnc2[nH]cc(Cc3ccc(NCc4ccnc(N5CCOCC5)c4)nc3F)c2c1
InChIInChI=1S/C24H25FN6O/c1-16-10-20-19(15-29-24(20)28-13-16)12-18-2-3-21(30-23(18)25)27-14-17-4-5-26-22(11-17)31-6-8-32-9-7-31/h2-5,10-11,13,15H,6-9,12,14H2,1H3,(H,27,30)(H,28,29)
InChIKeySDQJYZUDPFNNKA-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.84
Rot. Bonds6

About 6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridin-2-amine

6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridin-2-amine (PubChem CID 67201913) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridin-2-amine
PubChem CID67201913
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridin-2-amine
SMILESCc1cnc2[nH]cc(Cc3ccc(NCc4ccnc(N5CCOCC5)c4)nc3F)c2c1
InChIInChI=1S/C24H25FN6O/c1-16-10-20-19(15-29-24(20)28-13-16)12-18-2-3-21(30-23(18)25)27-14-17-4-5-26-22(11-17)31-6-8-32-9-7-31/h2-5,10-11,13,15H,6-9,12,14H2,1H3,(H,27,30)(H,28,29)
InChIKeySDQJYZUDPFNNKA-UHFFFAOYSA-N
XLogP3.84
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridin-2-amine?
The IUPAC name of 6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridin-2-amine (CID 67201913) is 6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridin-2-amine is Cc1cnc2[nH]cc(Cc3ccc(NCc4ccnc(N5CCOCC5)c4)nc3F)c2c1.
What is the InChIKey of 6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridin-2-amine?
The InChIKey is SDQJYZUDPFNNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-16-10-20-19(15-29-24(20)28-13-16)12-18-2-3-21(30-23(18)25)27-14-17-4-5-26-22(11-17)31-6-8-32-9-7-31/h2-5,10-11,13,15H,6-9,12,14H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridin-2-amine?
6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridin-2-amine has a molecular weight of 432.50 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 67201913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).