4-ethyl-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one

C25H29N9O2 — CID 155281872

IUPAC4-ethyl-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
SMILESCCN1CCN(c2ccc(Nc3nccc(-c4cc5c(ncn5C(C)C)c(OC)n4)n3)nc2)C(=O)C1
InChIInChI=1S/C25H29N9O2/c1-5-32-10-11-33(22(35)14-32)17-6-7-21(27-13-17)31-25-26-9-8-18(30-25)19-12-20-23(24(29-19)36-4)28-15-34(20)16(2)3/h6-9,12-13,15-16H,5,10-11,14H2,1-4H3,(H,26,27,30,31)
InChIKeyHOPUBQSAVPPYHC-UHFFFAOYSA-N
MW487.57 g/mol
LogP3.28
Rot. Bonds7

About 4-ethyl-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one

4-ethyl-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one (PubChem CID 155281872) has the molecular formula C25H29N9O2 and a molecular weight of 487.57 g/mol. Its IUPAC name is 4-ethyl-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-ethyl-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
PubChem CID155281872
Molecular FormulaC25H29N9O2
Molecular Weight487.57 g/mol
Exact Mass487.24
IUPAC Name4-ethyl-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
SMILESCCN1CCN(c2ccc(Nc3nccc(-c4cc5c(ncn5C(C)C)c(OC)n4)n3)nc2)C(=O)C1
InChIInChI=1S/C25H29N9O2/c1-5-32-10-11-33(22(35)14-32)17-6-7-21(27-13-17)31-25-26-9-8-18(30-25)19-12-20-23(24(29-19)36-4)28-15-34(20)16(2)3/h6-9,12-13,15-16H,5,10-11,14H2,1-4H3,(H,26,27,30,31)
InChIKeyHOPUBQSAVPPYHC-UHFFFAOYSA-N
XLogP3.28
TPSA114.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-ethyl-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine
CID 155281980
4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
CID 167605122
4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one
CID 155282347
1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-(2-methylsulfonylethyl)piperazin-2-one
CID 155282350
4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one
CID 167569517
1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-3-methylpyrrolidin-3-amine
CID 167601196
(3S)-3-(dimethylamino)-1-[6-[[4-(4-fluoro-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
CID 155282332
(4R)-4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
CID 155282174
4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
CID 167580077
4-(6-amino-3-pyridinyl)morpholin-3-one;5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;4-[6-[[4-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one
CID 167621080
4-[2-fluoroethyl(methyl)amino]-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
CID 155281861
tert-butyl 4-[6-[[4-(7-fluoro-3,3-dimethyl-2H-1-benzofuran-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylate
CID 155281936

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one?
The IUPAC name of 4-ethyl-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one (CID 155281872) is 4-ethyl-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-ethyl-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-ethyl-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one is CCN1CCN(c2ccc(Nc3nccc(-c4cc5c(ncn5C(C)C)c(OC)n4)n3)nc2)C(=O)C1.
What is the InChIKey of 4-ethyl-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one?
The InChIKey is HOPUBQSAVPPYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O2/c1-5-32-10-11-33(22(35)14-32)17-6-7-21(27-13-17)31-25-26-9-8-18(30-25)19-12-20-23(24(29-19)36-4)28-15-34(20)16(2)3/h6-9,12-13,15-16H,5,10-11,14H2,1-4H3,(H,26,27,30,31).
What are the key properties of 4-ethyl-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one?
4-ethyl-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one has a molecular weight of 487.57 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one is sourced from PubChem (CID 155281872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).