(7R)-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-5-N-[[(2S)-oxan-2-yl]methoxy]-7,8-dihydropyrido[4,3-d]pyrimidine-2,5-diamine

C26H29FN6O3 — CID 58166155

IUPAC(7R)-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-5-N-[[(2S)-oxan-2-yl]methoxy]-7,8-dihydropyrido[4,3-d]pyrimidine-2,5-diamine
SMILESCOc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOC[C@@H]3CCCCO3)=N2)n1
InChIInChI=1S/C26H29FN6O3/c1-15-24-22(32-26(28)29-15)13-21(31-25(24)33-36-14-17-6-3-4-11-35-17)18-10-9-16(27)12-19(18)20-7-5-8-23(30-20)34-2/h5,7-10,12,17,21H,3-4,6,11,13-14H2,1-2H3,(H,31,33)(H2,28,29,32)/t17-,21+/m0/s1
InChIKeyHPSPEOVFFLCHRG-LAUBAEHRSA-N
MW492.56 g/mol
LogP3.71
Rot. Bonds6

About (7R)-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-5-N-[[(2S)-oxan-2-yl]methoxy]-7,8-dihydropyrido[4,3-d]pyrimidine-2,5-diamine

(7R)-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-5-N-[[(2S)-oxan-2-yl]methoxy]-7,8-dihydropyrido[4,3-d]pyrimidine-2,5-diamine (PubChem CID 58166155) has the molecular formula C26H29FN6O3 and a molecular weight of 492.56 g/mol. Its IUPAC name is (7R)-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-5-N-[[(2S)-oxan-2-yl]methoxy]-7,8-dihydropyrido[4,3-d]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name(7R)-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-5-N-[[(2S)-oxan-2-yl]methoxy]-7,8-dihydropyrido[4,3-d]pyrimidine-2,5-diamine
PubChem CID58166155
Molecular FormulaC26H29FN6O3
Molecular Weight492.56 g/mol
Exact Mass492.23
IUPAC Name(7R)-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-5-N-[[(2S)-oxan-2-yl]methoxy]-7,8-dihydropyrido[4,3-d]pyrimidine-2,5-diamine
SMILESCOc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOC[C@@H]3CCCCO3)=N2)n1
InChIInChI=1S/C26H29FN6O3/c1-15-24-22(32-26(28)29-15)13-21(31-25(24)33-36-14-17-6-3-4-11-35-17)18-10-9-16(27)12-19(18)20-7-5-8-23(30-20)34-2/h5,7-10,12,17,21H,3-4,6,11,13-14H2,1-2H3,(H,31,33)(H2,28,29,32)/t17-,21+/m0/s1
InChIKeyHPSPEOVFFLCHRG-LAUBAEHRSA-N
XLogP3.71
TPSA116.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (7R)-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-5-N-[[(2S)-oxan-2-yl]methoxy]-7,8-dihydropyrido[4,3-d]pyrimidine-2,5-diamine with MolForge

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Launch Full Analysis

Related Compounds

(7R)-5-N-(3,4-diaminobutoxy)-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidine-2,5-diamine
CID 89089328
2-[[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl]amino]oxy-1-pyrrolidin-1-ylethanone
CID 76700426
2-[[(7R)-2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl]amino]oxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetaldehyde
CID 87255740
2-[[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]guanidine
CID 68629309
2-amino-6-ethyl-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 67238285
2-[[[(7S)-2-amino-7-[2-(5-amino-6-methoxy-2-pyridinyl)-4-fluorophenyl]-8,8-difluoro-4-methyl-7H-pyrido[4,3-d]pyrimidin-5-yl]amino]oxymethyl]oxolane-3,4-diol
CID 89089323
2-[[6-amino-3-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-8-methyl-4,5-dihydro-3H-2,6-naphthyridin-1-yl]amino]oxy-1-(3,3-difluoroazetidin-1-yl)ethanone
CID 87649430
2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one;(2R)-3-[(E)-[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol;(5E)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxyimino]-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;O-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 172918687
2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69451789
(7R)-2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 58882217
(7R)-2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-6-(2-methylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 57424890
5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline
CID 26189643

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-5-N-[[(2S)-oxan-2-yl]methoxy]-7,8-dihydropyrido[4,3-d]pyrimidine-2,5-diamine?
The IUPAC name of (7R)-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-5-N-[[(2S)-oxan-2-yl]methoxy]-7,8-dihydropyrido[4,3-d]pyrimidine-2,5-diamine (CID 58166155) is (7R)-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-5-N-[[(2S)-oxan-2-yl]methoxy]-7,8-dihydropyrido[4,3-d]pyrimidine-2,5-diamine.
What is the SMILES notation for (7R)-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-5-N-[[(2S)-oxan-2-yl]methoxy]-7,8-dihydropyrido[4,3-d]pyrimidine-2,5-diamine?
The canonical SMILES for (7R)-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-5-N-[[(2S)-oxan-2-yl]methoxy]-7,8-dihydropyrido[4,3-d]pyrimidine-2,5-diamine is COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOC[C@@H]3CCCCO3)=N2)n1.
What is the InChIKey of (7R)-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-5-N-[[(2S)-oxan-2-yl]methoxy]-7,8-dihydropyrido[4,3-d]pyrimidine-2,5-diamine?
The InChIKey is HPSPEOVFFLCHRG-LAUBAEHRSA-N. The full InChI is InChI=1S/C26H29FN6O3/c1-15-24-22(32-26(28)29-15)13-21(31-25(24)33-36-14-17-6-3-4-11-35-17)18-10-9-16(27)12-19(18)20-7-5-8-23(30-20)34-2/h5,7-10,12,17,21H,3-4,6,11,13-14H2,1-2H3,(H,31,33)(H2,28,29,32)/t17-,21+/m0/s1.
What are the key properties of (7R)-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-5-N-[[(2S)-oxan-2-yl]methoxy]-7,8-dihydropyrido[4,3-d]pyrimidine-2,5-diamine?
(7R)-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-5-N-[[(2S)-oxan-2-yl]methoxy]-7,8-dihydropyrido[4,3-d]pyrimidine-2,5-diamine has a molecular weight of 492.56 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-5-N-[[(2S)-oxan-2-yl]methoxy]-7,8-dihydropyrido[4,3-d]pyrimidine-2,5-diamine is sourced from PubChem (CID 58166155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).