4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(2-hydroxypropylamino)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide

About 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(2-hydroxypropylamino)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(2-hydroxypropylamino)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 90420035) has the molecular formula C25H30FN5O3 and a molecular weight of 467.55 g/mol. Its IUPAC name is 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(2-hydroxypropylamino)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name	4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(2-hydroxypropylamino)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID	90420035
Molecular Formula	C25H30FN5O3
Molecular Weight	467.55 g/mol
Exact Mass	467.23
IUPAC Name	4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(2-hydroxypropylamino)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILES	COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)NCCNCC(C)O)CC3)cc12
InChI	InChI=1S/C25H30FN5O3/c1-16(32)15-27-9-10-29-25(33)31-11-6-17(7-12-31)22-14-21-19(5-8-28-24(21)30-22)20-13-18(26)3-4-23(20)34-2/h3-6,8,13-14,16,27,32H,7,9-12,15H2,1-2H3,(H,28,30)(H,29,33)
InChIKey	PBTJWZCUTPOJDA-UHFFFAOYSA-N
XLogP	3.15
TPSA	102.51 Å²
H-Bond Donors	4
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(2-hydroxypropylamino)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The IUPAC name of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(2-hydroxypropylamino)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 90420035) is 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(2-hydroxypropylamino)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

What is the SMILES notation for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(2-hydroxypropylamino)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The canonical SMILES for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(2-hydroxypropylamino)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)NCCNCC(C)O)CC3)cc12.

What is the InChIKey of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(2-hydroxypropylamino)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The InChIKey is PBTJWZCUTPOJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O3/c1-16(32)15-27-9-10-29-25(33)31-11-6-17(7-12-31)22-14-21-19(5-8-28-24(21)30-22)20-13-18(26)3-4-23(20)34-2/h3-6,8,13-14,16,27,32H,7,9-12,15H2,1-2H3,(H,28,30)(H,29,33).

What are the key properties of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(2-hydroxypropylamino)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(2-hydroxypropylamino)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 3.15, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(2-hydroxypropylamino)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 90420035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).