(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol

C27H29FN4O2 — CID 44530217

IUPAC(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol
SMILESCOc1ccc2ncc(F)c(CCN3C[C@H](CNCc4ccc5ccccc5c4)[C@H](O)C3)c2n1
InChIInChI=1S/C27H29FN4O2/c1-34-26-9-8-24-27(31-26)22(23(28)15-30-24)10-11-32-16-21(25(33)17-32)14-29-13-18-6-7-19-4-2-3-5-20(19)12-18/h2-9,12,15,21,25,29,33H,10-11,13-14,16-17H2,1H3/t21-,25+/m0/s1
InChIKeyMYBRROHDXGDZMF-SQJMNOBHSA-N
MW460.55 g/mol
LogP3.56
Rot. Bonds8

About (3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol

(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol (PubChem CID 44530217) has the molecular formula C27H29FN4O2 and a molecular weight of 460.55 g/mol. Its IUPAC name is (3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol
PubChem CID44530217
Molecular FormulaC27H29FN4O2
Molecular Weight460.55 g/mol
Exact Mass460.23
IUPAC Name(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol
SMILESCOc1ccc2ncc(F)c(CCN3C[C@H](CNCc4ccc5ccccc5c4)[C@H](O)C3)c2n1
InChIInChI=1S/C27H29FN4O2/c1-34-26-9-8-24-27(31-26)22(23(28)15-30-24)10-11-32-16-21(25(33)17-32)14-29-13-18-6-7-19-4-2-3-5-20(19)12-18/h2-9,12,15,21,25,29,33H,10-11,13-14,16-17H2,1H3/t21-,25+/m0/s1
InChIKeyMYBRROHDXGDZMF-SQJMNOBHSA-N
XLogP3.56
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[[(3R,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methyl]carbamate
CID 131728028
8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
CID 59011512
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 72999723
3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine
CID 59130268
(3aR,4R,6aS)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 59011507
6-[[[4-fluoro-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 68576748
4-[2-[(3S,4S)-3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile
CID 11705599
(3S,4S)-4-[[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol
CID 11677117
7-fluoro-2-methoxy-8-(2-phenylethyl)-1,5-naphthyridine
CID 141180436
6-[[[(5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-7-hydroxyimino-3-azabicyclo[4.1.0]heptan-5-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 143159682
benzyl-[[(3S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamic acid
CID 68576913
1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 70898198

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol (CID 44530217) is (3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol is COc1ccc2ncc(F)c(CCN3C[C@H](CNCc4ccc5ccccc5c4)[C@H](O)C3)c2n1.
What is the InChIKey of (3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is MYBRROHDXGDZMF-SQJMNOBHSA-N. The full InChI is InChI=1S/C27H29FN4O2/c1-34-26-9-8-24-27(31-26)22(23(28)15-30-24)10-11-32-16-21(25(33)17-32)14-29-13-18-6-7-19-4-2-3-5-20(19)12-18/h2-9,12,15,21,25,29,33H,10-11,13-14,16-17H2,1H3/t21-,25+/m0/s1.
What are the key properties of (3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol?
(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 460.55 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 44530217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).