(1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

C23H25N7O3S — CID 73442898

IUPAC(1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1
InChIInChI=1S/C23H25N7O3S/c1-11-5-14(6-12(2)26-11)27-23-25-8-15(22-29-16-3-4-24-9-18(16)34-22)21(30-23)28-17-7-13(10-31)19(32)20(17)33/h3-6,8-9,13,17,19-20,31-33H,7,10H2,1-2H3,(H2,25,26,27,28,30)/t13-,17-,19-,20+/m1/s1
InChIKeyQZVWVAJOMQEGKF-HSGBFHSBSA-N
MW479.57 g/mol
LogP2.42
Rot. Bonds6

About (1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

(1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 73442898) has the molecular formula C23H25N7O3S and a molecular weight of 479.57 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID73442898
Molecular FormulaC23H25N7O3S
Molecular Weight479.57 g/mol
Exact Mass479.17
IUPAC Name(1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1
InChIInChI=1S/C23H25N7O3S/c1-11-5-14(6-12(2)26-11)27-23-25-8-15(22-29-16-3-4-24-9-18(16)34-22)21(30-23)28-17-7-13(10-31)19(32)20(17)33/h3-6,8-9,13,17,19-20,31-33H,7,10H2,1-2H3,(H2,25,26,27,28,30)/t13-,17-,19-,20+/m1/s1
InChIKeyQZVWVAJOMQEGKF-HSGBFHSBSA-N
XLogP2.42
TPSA149.20 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.57
LogP ≤ 52.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze (1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 73442898) is (1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is Cc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1.
What is the InChIKey of (1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is QZVWVAJOMQEGKF-HSGBFHSBSA-N. The full InChI is InChI=1S/C23H25N7O3S/c1-11-5-14(6-12(2)26-11)27-23-25-8-15(22-29-16-3-4-24-9-18(16)34-22)21(30-23)28-17-7-13(10-31)19(32)20(17)33/h3-6,8-9,13,17,19-20,31-33H,7,10H2,1-2H3,(H2,25,26,27,28,30)/t13-,17-,19-,20+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 479.57 g/mol, XLogP of 2.42, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 73442898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).