1-[[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridin-4-yl]amino]cyclopentan-1-ol

C23H24F2N4O — CID 175746907

IUPAC1-[[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridin-4-yl]amino]cyclopentan-1-ol
SMILESOC1(Nc2ccnc3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CCCC1
InChIInChI=1S/C23H24F2N4O/c24-15-5-6-17(25)16(14-15)20-4-3-13-29(20)21-8-7-18-22(27-21)19(9-12-26-18)28-23(30)10-1-2-11-23/h5-9,12,14,20,30H,1-4,10-11,13H2,(H,26,28)/t20-/m1/s1
InChIKeyJIAMRFMBDDWCOA-HXUWFJFHSA-N
MW410.47 g/mol
LogP4.92
Rot. Bonds4

About 1-[[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridin-4-yl]amino]cyclopentan-1-ol

1-[[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridin-4-yl]amino]cyclopentan-1-ol (PubChem CID 175746907) has the molecular formula C23H24F2N4O and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-[[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridin-4-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridin-4-yl]amino]cyclopentan-1-ol
PubChem CID175746907
Molecular FormulaC23H24F2N4O
Molecular Weight410.47 g/mol
Exact Mass410.19
IUPAC Name1-[[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridin-4-yl]amino]cyclopentan-1-ol
SMILESOC1(Nc2ccnc3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CCCC1
InChIInChI=1S/C23H24F2N4O/c24-15-5-6-17(25)16(14-15)20-4-3-13-29(20)21-8-7-18-22(27-21)19(9-12-26-18)28-23(30)10-1-2-11-23/h5-9,12,14,20,30H,1-4,10-11,13H2,(H,26,28)/t20-/m1/s1
InChIKeyJIAMRFMBDDWCOA-HXUWFJFHSA-N
XLogP4.92
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine
CID 146611650
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide
CID 156771226
6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-amine
CID 58334496
10-chloro-4-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,7,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
CID 147382915
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-3-carboxamide
CID 175129827
(6R)-9-fluoro-13-oxa-2,17,21,25-tetrazapentacyclo[16.6.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,18(26),19,21,23-octaene-19-carboxylic acid
CID 146212744
6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine
CID 58335520
N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide
CID 67308144
4-[6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]aniline
CID 89131016
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine;oxaldehydic acid
CID 158601658
N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxamide
CID 58334520
2-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]amino]-2-oxoacetic acid
CID 58386308

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridin-4-yl]amino]cyclopentan-1-ol?
The IUPAC name of 1-[[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridin-4-yl]amino]cyclopentan-1-ol (CID 175746907) is 1-[[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridin-4-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for 1-[[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridin-4-yl]amino]cyclopentan-1-ol?
The canonical SMILES for 1-[[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridin-4-yl]amino]cyclopentan-1-ol is OC1(Nc2ccnc3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CCCC1.
What is the InChIKey of 1-[[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridin-4-yl]amino]cyclopentan-1-ol?
The InChIKey is JIAMRFMBDDWCOA-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24F2N4O/c24-15-5-6-17(25)16(14-15)20-4-3-13-29(20)21-8-7-18-22(27-21)19(9-12-26-18)28-23(30)10-1-2-11-23/h5-9,12,14,20,30H,1-4,10-11,13H2,(H,26,28)/t20-/m1/s1.
What are the key properties of 1-[[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridin-4-yl]amino]cyclopentan-1-ol?
1-[[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridin-4-yl]amino]cyclopentan-1-ol has a molecular weight of 410.47 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridin-4-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 175746907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).