(7S)-2-amino-4-[2-(4-methoxyphenyl)pyrimidin-5-yl]-7-methyl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile

C20H17N5O2 — CID 95558041

IUPAC(7S)-2-amino-4-[2-(4-methoxyphenyl)pyrimidin-5-yl]-7-methyl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ncc(-c3c(C#N)c(N)nc4c3CO[C@H]4C)cn2)cc1
InChIInChI=1S/C20H17N5O2/c1-11-18-16(10-27-11)17(15(7-21)19(22)25-18)13-8-23-20(24-9-13)12-3-5-14(26-2)6-4-12/h3-6,8-9,11H,10H2,1-2H3,(H2,22,25)/t11-/m0/s1
InChIKeyYELCZNCEGZPOAC-NSHDSACASA-N
MW359.39 g/mol
LogP3.26
Rot. Bonds3

About (7S)-2-amino-4-[2-(4-methoxyphenyl)pyrimidin-5-yl]-7-methyl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile

(7S)-2-amino-4-[2-(4-methoxyphenyl)pyrimidin-5-yl]-7-methyl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile (PubChem CID 95558041) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is (7S)-2-amino-4-[2-(4-methoxyphenyl)pyrimidin-5-yl]-7-methyl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(7S)-2-amino-4-[2-(4-methoxyphenyl)pyrimidin-5-yl]-7-methyl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile
PubChem CID95558041
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name(7S)-2-amino-4-[2-(4-methoxyphenyl)pyrimidin-5-yl]-7-methyl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ncc(-c3c(C#N)c(N)nc4c3CO[C@H]4C)cn2)cc1
InChIInChI=1S/C20H17N5O2/c1-11-18-16(10-27-11)17(15(7-21)19(22)25-18)13-8-23-20(24-9-13)12-3-5-14(26-2)6-4-12/h3-6,8-9,11H,10H2,1-2H3,(H2,22,25)/t11-/m0/s1
InChIKeyYELCZNCEGZPOAC-NSHDSACASA-N
XLogP3.26
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (7S)-2-amino-4-[2-(4-methoxyphenyl)pyrimidin-5-yl]-7-methyl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile?
The IUPAC name of (7S)-2-amino-4-[2-(4-methoxyphenyl)pyrimidin-5-yl]-7-methyl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile (CID 95558041) is (7S)-2-amino-4-[2-(4-methoxyphenyl)pyrimidin-5-yl]-7-methyl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile.
What is the SMILES notation for (7S)-2-amino-4-[2-(4-methoxyphenyl)pyrimidin-5-yl]-7-methyl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile?
The canonical SMILES for (7S)-2-amino-4-[2-(4-methoxyphenyl)pyrimidin-5-yl]-7-methyl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile is COc1ccc(-c2ncc(-c3c(C#N)c(N)nc4c3CO[C@H]4C)cn2)cc1.
What is the InChIKey of (7S)-2-amino-4-[2-(4-methoxyphenyl)pyrimidin-5-yl]-7-methyl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile?
The InChIKey is YELCZNCEGZPOAC-NSHDSACASA-N. The full InChI is InChI=1S/C20H17N5O2/c1-11-18-16(10-27-11)17(15(7-21)19(22)25-18)13-8-23-20(24-9-13)12-3-5-14(26-2)6-4-12/h3-6,8-9,11H,10H2,1-2H3,(H2,22,25)/t11-/m0/s1.
What are the key properties of (7S)-2-amino-4-[2-(4-methoxyphenyl)pyrimidin-5-yl]-7-methyl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile?
(7S)-2-amino-4-[2-(4-methoxyphenyl)pyrimidin-5-yl]-7-methyl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile has a molecular weight of 359.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-amino-4-[2-(4-methoxyphenyl)pyrimidin-5-yl]-7-methyl-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile is sourced from PubChem (CID 95558041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).