(2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol

C15H18BrN3O — CID 99705046

IUPAC(2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol
SMILESC[C@H](O)C[C@H]1CCCN1c1ccnc2cc(Br)cnc12
InChIInChI=1S/C15H18BrN3O/c1-10(20)7-12-3-2-6-19(12)14-4-5-17-13-8-11(16)9-18-15(13)14/h4-5,8-10,12,20H,2-3,6-7H2,1H3/t10-,12+/m0/s1
InChIKeyKQBOVSQZVCDQJQ-CMPLNLGQSA-N
MW336.23 g/mol
LogP3.13
Rot. Bonds3

About (2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol

(2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 99705046) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is (2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol
PubChem CID99705046
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name(2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol
SMILESC[C@H](O)C[C@H]1CCCN1c1ccnc2cc(Br)cnc12
InChIInChI=1S/C15H18BrN3O/c1-10(20)7-12-3-2-6-19(12)14-4-5-17-13-8-11(16)9-18-15(13)14/h4-5,8-10,12,20H,2-3,6-7H2,1H3/t10-,12+/m0/s1
InChIKeyKQBOVSQZVCDQJQ-CMPLNLGQSA-N
XLogP3.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol with MolForge

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Related Compounds

3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine
CID 139007267
1-(7-bromo-1,5-naphthyridin-4-yl)-N-methylpiperidine-3-carboxamide
CID 104530089
1-(7-bromo-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-ol
CID 114680866
[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481700
1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 133482933
3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine
CID 113394506
3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine
CID 106949013
3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine
CID 133482284
(2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
CID 124850219
1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol
CID 112748394
1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
CID 112747946
(2R)-1-[(2S)-1-(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
CID 124842088

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol (CID 99705046) is (2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol is C[C@H](O)C[C@H]1CCCN1c1ccnc2cc(Br)cnc12.
What is the InChIKey of (2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is KQBOVSQZVCDQJQ-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10(20)7-12-3-2-6-19(12)14-4-5-17-13-8-11(16)9-18-15(13)14/h4-5,8-10,12,20H,2-3,6-7H2,1H3/t10-,12+/m0/s1.
What are the key properties of (2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol?
(2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 336.23 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 99705046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).