1-[4-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one

C23H28N8O2S — CID 56940983

IUPAC1-[4-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(Nc2nc(CN3CCOCC3)cc(Nc3nc4cccnc4s3)n2)CC1
InChIInChI=1S/C23H28N8O2S/c1-2-20(32)31-8-5-16(6-9-31)25-22-26-17(15-30-10-12-33-13-11-30)14-19(28-22)29-23-27-18-4-3-7-24-21(18)34-23/h2-4,7,14,16H,1,5-6,8-13,15H2,(H2,25,26,27,28,29)
InChIKeyMHAJTIYNCRZABX-UHFFFAOYSA-N
MW480.60 g/mol
LogP2.65
Rot. Bonds7

About 1-[4-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one

1-[4-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one (PubChem CID 56940983) has the molecular formula C23H28N8O2S and a molecular weight of 480.60 g/mol. Its IUPAC name is 1-[4-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one
PubChem CID56940983
Molecular FormulaC23H28N8O2S
Molecular Weight480.60 g/mol
Exact Mass480.21
IUPAC Name1-[4-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(Nc2nc(CN3CCOCC3)cc(Nc3nc4cccnc4s3)n2)CC1
InChIInChI=1S/C23H28N8O2S/c1-2-20(32)31-8-5-16(6-9-31)25-22-26-17(15-30-10-12-33-13-11-30)14-19(28-22)29-23-27-18-4-3-7-24-21(18)34-23/h2-4,7,14,16H,1,5-6,8-13,15H2,(H2,25,26,27,28,29)
InChIKeyMHAJTIYNCRZABX-UHFFFAOYSA-N
XLogP2.65
TPSA108.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.60
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one with MolForge

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Related Compounds

1-[(3s)-3-{[4-(Morpholin-4-Ylmethyl)-6-([1,3]thiazolo[5,4-B]pyridin-2-Ylamino)pyrimidin-2-Yl]amino}pyrrolidin-1-Yl]prop-2-En-1-One
CID 56940984
(S)-1-(3-((4-(Piperidin-1-ylmethyl)-6-(thiazolo[5,4-b]pyridin-2-ylamino)pyridin-2-yl)amino)pyrrolidin-1-yl)prop-2-en-1-one (10)
CID 56942439
(trans)-4-((4-(Morpholinomethyl)-6-(thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl)amino)cyclohexanol (1)
CID 87070336
(S)-1-(3-((4-((Dimethylamino)methyl)-6-(thiazolo[5,4-b]pyridin-2-ylamino)pyridin-2-yl)amino)pyrrolidin-1-yl)prop-2-en-1-one (11)
CID 124201738
5-(2-(1,4''-Bipiperidin-1''-yl)thiazolo[4,5-c]pyridin-6-yl)pyridin-2-ol
CID 45482728
6-Morpholin-4-yl-2-phenyl-pyrimidine-4-carboxylic acid (2-thiazolo[5,4-b]pyridin-2-yl-phenyl)-amide
CID 58101566
4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 126534280
N-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126535109
N-cyclopentyl-5-[2-[(5-morpholin-4-ylpyridin-2-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 126535118
1-[4-[6-[[4-[4-Methyl-2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 126535633
1-[4-[6-[[4-[2-[Cyclopentyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 126559195
4-(6-Piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine
CID 134201418

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one (CID 56940983) is 1-[4-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(Nc2nc(CN3CCOCC3)cc(Nc3nc4cccnc4s3)n2)CC1.
What is the InChIKey of 1-[4-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is MHAJTIYNCRZABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O2S/c1-2-20(32)31-8-5-16(6-9-31)25-22-26-17(15-30-10-12-33-13-11-30)14-19(28-22)29-23-27-18-4-3-7-24-21(18)34-23/h2-4,7,14,16H,1,5-6,8-13,15H2,(H2,25,26,27,28,29).
What are the key properties of 1-[4-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one?
1-[4-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 480.60 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 56940983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).