(1R,2S,3R,5R)-3-[[2-anilino-5-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

C26H29N5O4 — CID 123387702

IUPAC(1R,2S,3R,5R)-3-[[2-anilino-5-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCc1cc2cc(-c3c(C)nc(Nc4ccccc4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(C)n1
InChIInChI=1S/C26H29N5O4/c1-13-9-16-11-20(35-24(16)15(3)27-13)21-14(2)28-26(29-18-7-5-4-6-8-18)31-25(21)30-19-10-17(12-32)22(33)23(19)34/h4-9,11,17,19,22-23,32-34H,10,12H2,1-3H3,(H2,28,29,30,31)/t17-,19-,22-,23+/m1/s1
InChIKeyLZSQOSUUGMVOSQ-BAJOOJPFSA-N
MW475.55 g/mol
LogP3.47
Rot. Bonds6

About (1R,2S,3R,5R)-3-[[2-anilino-5-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

(1R,2S,3R,5R)-3-[[2-anilino-5-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 123387702) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[[2-anilino-5-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-[[2-anilino-5-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID123387702
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Name(1R,2S,3R,5R)-3-[[2-anilino-5-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCc1cc2cc(-c3c(C)nc(Nc4ccccc4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(C)n1
InChIInChI=1S/C26H29N5O4/c1-13-9-16-11-20(35-24(16)15(3)27-13)21-14(2)28-26(29-18-7-5-4-6-8-18)31-25(21)30-19-10-17(12-32)22(33)23(19)34/h4-9,11,17,19,22-23,32-34H,10,12H2,1-3H3,(H2,28,29,30,31)/t17-,19-,22-,23+/m1/s1
InChIKeyLZSQOSUUGMVOSQ-BAJOOJPFSA-N
XLogP3.47
TPSA136.56 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (1R,2S,3R,5R)-3-[[2-anilino-5-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-[[2-anilino-5-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-[[2-anilino-5-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 123387702) is (1R,2S,3R,5R)-3-[[2-anilino-5-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-[[2-anilino-5-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-[[2-anilino-5-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is Cc1cc2cc(-c3c(C)nc(Nc4ccccc4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(C)n1.
What is the InChIKey of (1R,2S,3R,5R)-3-[[2-anilino-5-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is LZSQOSUUGMVOSQ-BAJOOJPFSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-13-9-16-11-20(35-24(16)15(3)27-13)21-14(2)28-26(29-18-7-5-4-6-8-18)31-25(21)30-19-10-17(12-32)22(33)23(19)34/h4-9,11,17,19,22-23,32-34H,10,12H2,1-3H3,(H2,28,29,30,31)/t17-,19-,22-,23+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[[2-anilino-5-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-[[2-anilino-5-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 475.55 g/mol, XLogP of 3.47, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-[[2-anilino-5-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 123387702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).