2-[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide

C24H27FN4O3 — CID 90412419

IUPAC2-[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)N(C)C)[C@@H](CO)C3)cc12
InChIInChI=1S/C24H27FN4O3/c1-28(2)23(31)13-29-9-7-15(10-17(29)14-30)21-12-20-18(6-8-26-24(20)27-21)19-11-16(25)4-5-22(19)32-3/h4-8,11-12,17,30H,9-10,13-14H2,1-3H3,(H,26,27)/t17-/m1/s1
InChIKeyYJWQVMVMQUCUSN-QGZVFWFLSA-N
MW438.50 g/mol
LogP2.92
Rot. Bonds6

About 2-[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide

2-[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide (PubChem CID 90412419) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 2-[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide
PubChem CID90412419
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name2-[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)N(C)C)[C@@H](CO)C3)cc12
InChIInChI=1S/C24H27FN4O3/c1-28(2)23(31)13-29-9-7-15(10-17(29)14-30)21-12-20-18(6-8-26-24(20)27-21)19-11-16(25)4-5-22(19)32-3/h4-8,11-12,17,30H,9-10,13-14H2,1-3H3,(H,26,27)/t17-/m1/s1
InChIKeyYJWQVMVMQUCUSN-QGZVFWFLSA-N
XLogP2.92
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide (CID 90412419) is 2-[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)N(C)C)[C@@H](CO)C3)cc12.
What is the InChIKey of 2-[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide?
The InChIKey is YJWQVMVMQUCUSN-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-28(2)23(31)13-29-9-7-15(10-17(29)14-30)21-12-20-18(6-8-26-24(20)27-21)19-11-16(25)4-5-22(19)32-3/h4-8,11-12,17,30H,9-10,13-14H2,1-3H3,(H,26,27)/t17-/m1/s1.
What are the key properties of 2-[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide?
2-[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide has a molecular weight of 438.50 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 90412419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).