5-(aminomethyl)-3-[5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;formaldehyde

C23H28F2N6O3 — CID 176715770

IUPAC5-(aminomethyl)-3-[5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;formaldehyde
SMILESC=O.CNCCC(F)(F)CCc1cnc2c(ccn2-c2ccc(N3CC(CN)OC3=O)nc2)c1
InChIInChI=1S/C22H26F2N6O2.CH2O/c1-26-8-7-22(23,24)6-4-15-10-16-5-9-29(20(16)28-12-15)17-2-3-19(27-13-17)30-14-18(11-25)32-21(30)31;1-2/h2-3,5,9-10,12-13,18,26H,4,6-8,11,14,25H2,1H3;1H2
InChIKeyCAVVDZCCXXAMEC-UHFFFAOYSA-N
MW474.51 g/mol
LogP2.70
Rot. Bonds9

About 5-(aminomethyl)-3-[5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;formaldehyde

5-(aminomethyl)-3-[5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;formaldehyde (PubChem CID 176715770) has the molecular formula C23H28F2N6O3 and a molecular weight of 474.51 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;formaldehyde.

Molecular Properties

Compound Name5-(aminomethyl)-3-[5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;formaldehyde
PubChem CID176715770
Molecular FormulaC23H28F2N6O3
Molecular Weight474.51 g/mol
Exact Mass474.22
IUPAC Name5-(aminomethyl)-3-[5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;formaldehyde
SMILESC=O.CNCCC(F)(F)CCc1cnc2c(ccn2-c2ccc(N3CC(CN)OC3=O)nc2)c1
InChIInChI=1S/C22H26F2N6O2.CH2O/c1-26-8-7-22(23,24)6-4-15-10-16-5-9-29(20(16)28-12-15)17-2-3-19(27-13-17)30-14-18(11-25)32-21(30)31;1-2/h2-3,5,9-10,12-13,18,26H,4,6-8,11,14,25H2,1H3;1H2
InChIKeyCAVVDZCCXXAMEC-UHFFFAOYSA-N
XLogP2.70
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(aminomethyl)-3-[5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;formaldehyde with MolForge

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Related Compounds

N-tert-butyl-5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide
CID 156811455
3,3-difluoro-N-methyl-5-[1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]pentan-1-amine;formaldehyde
CID 176677912
1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 176661333
5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one
CID 67608405
(5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride
CID 70195308
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
(5R)-5-(aminomethyl)-3-[3-fluoro-4-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-1,3-oxazolidin-2-one
CID 86577499
(5S)-5-(aminomethyl)-3-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1,3-oxazolidin-2-one
CID 67744092
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
5-(aminomethyl)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 69406859
4-[5-[2,4-dimethyl-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide
CID 156811410

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;formaldehyde?
The IUPAC name of 5-(aminomethyl)-3-[5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;formaldehyde (CID 176715770) is 5-(aminomethyl)-3-[5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;formaldehyde.
What is the SMILES notation for 5-(aminomethyl)-3-[5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;formaldehyde?
The canonical SMILES for 5-(aminomethyl)-3-[5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;formaldehyde is C=O.CNCCC(F)(F)CCc1cnc2c(ccn2-c2ccc(N3CC(CN)OC3=O)nc2)c1.
What is the InChIKey of 5-(aminomethyl)-3-[5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;formaldehyde?
The InChIKey is CAVVDZCCXXAMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N6O2.CH2O/c1-26-8-7-22(23,24)6-4-15-10-16-5-9-29(20(16)28-12-15)17-2-3-19(27-13-17)30-14-18(11-25)32-21(30)31;1-2/h2-3,5,9-10,12-13,18,26H,4,6-8,11,14,25H2,1H3;1H2.
What are the key properties of 5-(aminomethyl)-3-[5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;formaldehyde?
5-(aminomethyl)-3-[5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;formaldehyde has a molecular weight of 474.51 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;formaldehyde is sourced from PubChem (CID 176715770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).