3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide

C23H30N8O2 — CID 146339164

IUPAC3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1cc(C)nc(Nc2ccc(OC)c(-n3cc4c(n3)CCN(C)C4)c2)n1
InChIInChI=1S/C23H30N8O2/c1-15-11-21(25-9-7-22(32)24-2)28-23(26-15)27-17-5-6-20(33-4)19(12-17)31-14-16-13-30(3)10-8-18(16)29-31/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,24,32)(H2,25,26,27,28)
InChIKeySMDIQGWCUCJKKP-UHFFFAOYSA-N
MW450.55 g/mol
LogP2.26
Rot. Bonds8

About 3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide

3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide (PubChem CID 146339164) has the molecular formula C23H30N8O2 and a molecular weight of 450.55 g/mol. Its IUPAC name is 3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide
PubChem CID146339164
Molecular FormulaC23H30N8O2
Molecular Weight450.55 g/mol
Exact Mass450.25
IUPAC Name3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1cc(C)nc(Nc2ccc(OC)c(-n3cc4c(n3)CCN(C)C4)c2)n1
InChIInChI=1S/C23H30N8O2/c1-15-11-21(25-9-7-22(32)24-2)28-23(26-15)27-17-5-6-20(33-4)19(12-17)31-14-16-13-30(3)10-8-18(16)29-31/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,24,32)(H2,25,26,27,28)
InChIKeySMDIQGWCUCJKKP-UHFFFAOYSA-N
XLogP2.26
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide with MolForge

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Related Compounds

2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146339161
2-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 162651371
2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 146338989
3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-(4-methoxyphenyl)propanamide
CID 44527739
5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 149305714
2-N-[3-[4-(aminomethyl)pyrazol-1-yl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146315861
2-N-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146397993
methyl 4-[[4-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112921006
N-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide
CID 146338976
4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112913561
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112922553
2-N-(3,4-dimethoxyphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927358

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide?
The IUPAC name of 3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide (CID 146339164) is 3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide.
What is the SMILES notation for 3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide?
The canonical SMILES for 3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide is CNC(=O)CCNc1cc(C)nc(Nc2ccc(OC)c(-n3cc4c(n3)CCN(C)C4)c2)n1.
What is the InChIKey of 3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide?
The InChIKey is SMDIQGWCUCJKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O2/c1-15-11-21(25-9-7-22(32)24-2)28-23(26-15)27-17-5-6-20(33-4)19(12-17)31-14-16-13-30(3)10-8-18(16)29-31/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,24,32)(H2,25,26,27,28).
What are the key properties of 3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide?
3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide has a molecular weight of 450.55 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 146339164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).