[4-[[2-amino-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-morpholin-4-ylmethanone

C24H29N7O4S — CID 77446756

IUPAC[4-[[2-amino-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-morpholin-4-ylmethanone
SMILESCc1nc(N)nc(NC2CC(C(=O)N3CCOCC3)C(O)C2O)c1-c1nc2c(C3CC3)nccc2s1
InChIInChI=1S/C24H29N7O4S/c1-11-16(22-29-18-15(36-22)4-5-26-17(18)12-2-3-12)21(30-24(25)27-11)28-14-10-13(19(32)20(14)33)23(34)31-6-8-35-9-7-31/h4-5,12-14,19-20,32-33H,2-3,6-10H2,1H3,(H3,25,27,28,30)
InChIKeyMPFCJNDXESVUQT-UHFFFAOYSA-N
MW511.61 g/mol
LogP1.30
Rot. Bonds5

About [4-[[2-amino-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-morpholin-4-ylmethanone

[4-[[2-amino-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-morpholin-4-ylmethanone (PubChem CID 77446756) has the molecular formula C24H29N7O4S and a molecular weight of 511.61 g/mol. Its IUPAC name is [4-[[2-amino-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[2-amino-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-morpholin-4-ylmethanone
PubChem CID77446756
Molecular FormulaC24H29N7O4S
Molecular Weight511.61 g/mol
Exact Mass511.20
IUPAC Name[4-[[2-amino-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-morpholin-4-ylmethanone
SMILESCc1nc(N)nc(NC2CC(C(=O)N3CCOCC3)C(O)C2O)c1-c1nc2c(C3CC3)nccc2s1
InChIInChI=1S/C24H29N7O4S/c1-11-16(22-29-18-15(36-22)4-5-26-17(18)12-2-3-12)21(30-24(25)27-11)28-14-10-13(19(32)20(14)33)23(34)31-6-8-35-9-7-31/h4-5,12-14,19-20,32-33H,2-3,6-10H2,1H3,(H3,25,27,28,30)
InChIKeyMPFCJNDXESVUQT-UHFFFAOYSA-N
XLogP1.30
TPSA159.61 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.61
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze [4-[[2-amino-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

3-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 123142880
(1R,2S,3R,5R)-3-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 122527721
3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 123933828
1-[(1R,2R,3S,4R)-4-[[2-(tert-butylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-4,4-dimethylpentan-2-one
CID 147880327
3-[[2-(1-cyclopropylethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol
CID 77447167
1-cyclopentyl-3-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-one
CID 159200796
1-[(1R,2R,3S,4R)-4-[[2-(cyclobutylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-4,4-dimethylpentan-2-one
CID 147178943
(1R,2S,3R,5S)-3-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-5-(ethylsulfonylmethyl)cyclopentane-1,2-diol
CID 122527754
4-[[4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]morpholin-3-one
CID 77446282
(1R,2S,3R,5R)-3-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-[(2-phenylcyclopropyl)amino]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 90366196
(1R,2S,3R,5R)-3-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[(1S,2R)-2-methoxycyclopentyl]amino]-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 90366453
(1R,2S,3R,5R)-3-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(spiro[2.3]hexan-5-ylmethylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 53374492

Frequently Asked Questions

What is the IUPAC name of [4-[[2-amino-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[2-amino-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-morpholin-4-ylmethanone (CID 77446756) is [4-[[2-amino-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[2-amino-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[2-amino-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-morpholin-4-ylmethanone is Cc1nc(N)nc(NC2CC(C(=O)N3CCOCC3)C(O)C2O)c1-c1nc2c(C3CC3)nccc2s1.
What is the InChIKey of [4-[[2-amino-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-morpholin-4-ylmethanone?
The InChIKey is MPFCJNDXESVUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O4S/c1-11-16(22-29-18-15(36-22)4-5-26-17(18)12-2-3-12)21(30-24(25)27-11)28-14-10-13(19(32)20(14)33)23(34)31-6-8-35-9-7-31/h4-5,12-14,19-20,32-33H,2-3,6-10H2,1H3,(H3,25,27,28,30).
What are the key properties of [4-[[2-amino-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-morpholin-4-ylmethanone?
[4-[[2-amino-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-morpholin-4-ylmethanone has a molecular weight of 511.61 g/mol, XLogP of 1.30, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-amino-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 77446756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).