4-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide

C22H27N7O3S — CID 123935085

IUPAC4-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide
SMILESCCNC(=O)C1CC(Nc2nc(NC3CC3)nc(C)c2-c2nc3cnccc3s2)C(O)C1O
InChIInChI=1S/C22H27N7O3S/c1-3-24-20(32)12-8-13(18(31)17(12)30)27-19-16(10(2)25-22(29-19)26-11-4-5-11)21-28-14-9-23-7-6-15(14)33-21/h6-7,9,11-13,17-18,30-31H,3-5,8H2,1-2H3,(H,24,32)(H2,25,26,27,29)
InChIKeyFHUPGWBNVVDMFA-UHFFFAOYSA-N
MW469.57 g/mol
LogP1.69
Rot. Bonds7

About 4-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide

4-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide (PubChem CID 123935085) has the molecular formula C22H27N7O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is 4-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide
PubChem CID123935085
Molecular FormulaC22H27N7O3S
Molecular Weight469.57 g/mol
Exact Mass469.19
IUPAC Name4-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide
SMILESCCNC(=O)C1CC(Nc2nc(NC3CC3)nc(C)c2-c2nc3cnccc3s2)C(O)C1O
InChIInChI=1S/C22H27N7O3S/c1-3-24-20(32)12-8-13(18(31)17(12)30)27-19-16(10(2)25-22(29-19)26-11-4-5-11)21-28-14-9-23-7-6-15(14)33-21/h6-7,9,11-13,17-18,30-31H,3-5,8H2,1-2H3,(H,24,32)(H2,25,26,27,29)
InChIKeyFHUPGWBNVVDMFA-UHFFFAOYSA-N
XLogP1.69
TPSA145.18 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 51.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 4-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide with MolForge

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Related Compounds

N-ethyl-2,3-dihydroxy-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
CID 77446692
4-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide
CID 77447004
(1S,2R,5R)-5-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-1-methylcyclopentane-1,2-diol
CID 58570841
(1R,2S,3R,5R)-3-[[2-[(3-cyclopropyl-2,2-dimethylpropyl)amino]-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 58570821
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride
CID 70693120
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[2-(methoxymethyl)butylamino]-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 122527755
(1R,2S,3R)-3-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(thiophen-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 58570950
(1R,2S,5R)-3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxyethyl)cyclopentane-1,2-diol
CID 118400230
methyl N-[2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-yl]carbamate
CID 90366422
(1R,2S,3R,5R)-3-[[2-[[(1R)-1-(3,5-dimethoxyphenyl)ethyl]amino]-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 58570638
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(N-methylanilino)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 58571096
N-[2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-yl]methanesulfonamide
CID 90366419

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide?
The IUPAC name of 4-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide (CID 123935085) is 4-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide.
What is the SMILES notation for 4-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide?
The canonical SMILES for 4-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide is CCNC(=O)C1CC(Nc2nc(NC3CC3)nc(C)c2-c2nc3cnccc3s2)C(O)C1O.
What is the InChIKey of 4-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide?
The InChIKey is FHUPGWBNVVDMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3S/c1-3-24-20(32)12-8-13(18(31)17(12)30)27-19-16(10(2)25-22(29-19)26-11-4-5-11)21-28-14-9-23-7-6-15(14)33-21/h6-7,9,11-13,17-18,30-31H,3-5,8H2,1-2H3,(H,24,32)(H2,25,26,27,29).
What are the key properties of 4-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide?
4-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide has a molecular weight of 469.57 g/mol, XLogP of 1.69, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 123935085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).