(3R)-3-(hydroxymethyl)-3-methyl-5-[2-[(4-methyl-1,3-oxazol-2-yl)amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile

C19H18N6O2 — CID 146572456

IUPAC(3R)-3-(hydroxymethyl)-3-methyl-5-[2-[(4-methyl-1,3-oxazol-2-yl)amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile
SMILESCc1coc(Nc2nccc(-c3cc(C#N)c4c(c3)[C@@](C)(CO)CN4)n2)n1
InChIInChI=1S/C19H18N6O2/c1-11-8-27-18(23-11)25-17-21-4-3-15(24-17)12-5-13(7-20)16-14(6-12)19(2,10-26)9-22-16/h3-6,8,22,26H,9-10H2,1-2H3,(H,21,23,24,25)/t19-/m1/s1
InChIKeyIEIOIBOEFMNEHE-LJQANCHMSA-N
MW362.39 g/mol
LogP2.73
Rot. Bonds4

About (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[(4-methyl-1,3-oxazol-2-yl)amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile

(3R)-3-(hydroxymethyl)-3-methyl-5-[2-[(4-methyl-1,3-oxazol-2-yl)amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile (PubChem CID 146572456) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[(4-methyl-1,3-oxazol-2-yl)amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-3-methyl-5-[2-[(4-methyl-1,3-oxazol-2-yl)amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile
PubChem CID146572456
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name(3R)-3-(hydroxymethyl)-3-methyl-5-[2-[(4-methyl-1,3-oxazol-2-yl)amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile
SMILESCc1coc(Nc2nccc(-c3cc(C#N)c4c(c3)[C@@](C)(CO)CN4)n2)n1
InChIInChI=1S/C19H18N6O2/c1-11-8-27-18(23-11)25-17-21-4-3-15(24-17)12-5-13(7-20)16-14(6-12)19(2,10-26)9-22-16/h3-6,8,22,26H,9-10H2,1-2H3,(H,21,23,24,25)/t19-/m1/s1
InChIKeyIEIOIBOEFMNEHE-LJQANCHMSA-N
XLogP2.73
TPSA119.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[(4-methyl-1,3-oxazol-2-yl)amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile?
The IUPAC name of (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[(4-methyl-1,3-oxazol-2-yl)amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile (CID 146572456) is (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[(4-methyl-1,3-oxazol-2-yl)amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[(4-methyl-1,3-oxazol-2-yl)amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile?
The canonical SMILES for (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[(4-methyl-1,3-oxazol-2-yl)amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile is Cc1coc(Nc2nccc(-c3cc(C#N)c4c(c3)[C@@](C)(CO)CN4)n2)n1.
What is the InChIKey of (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[(4-methyl-1,3-oxazol-2-yl)amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile?
The InChIKey is IEIOIBOEFMNEHE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-11-8-27-18(23-11)25-17-21-4-3-15(24-17)12-5-13(7-20)16-14(6-12)19(2,10-26)9-22-16/h3-6,8,22,26H,9-10H2,1-2H3,(H,21,23,24,25)/t19-/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[(4-methyl-1,3-oxazol-2-yl)amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile?
(3R)-3-(hydroxymethyl)-3-methyl-5-[2-[(4-methyl-1,3-oxazol-2-yl)amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile has a molecular weight of 362.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[(4-methyl-1,3-oxazol-2-yl)amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile is sourced from PubChem (CID 146572456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).