3-[2-[[4-(azetidin-1-yl)cyclohexyl]amino]-5-methylpyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine

C25H29N9 — CID 154601372

IUPAC3-[2-[[4-(azetidin-1-yl)cyclohexyl]amino]-5-methylpyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine
SMILESCc1cnc(NC2CCC(N3CCC3)CC2)nc1-c1cnc2ccc(Nc3cncnc3)cn12
InChIInChI=1S/C25H29N9/c1-17-11-29-25(31-18-3-6-21(7-4-18)33-9-2-10-33)32-24(17)22-14-28-23-8-5-19(15-34(22)23)30-20-12-26-16-27-13-20/h5,8,11-16,18,21,30H,2-4,6-7,9-10H2,1H3,(H,29,31,32)
InChIKeyACZZXOFCXJVABN-UHFFFAOYSA-N
MW455.57 g/mol
LogP4.06
Rot. Bonds6

About 3-[2-[[4-(azetidin-1-yl)cyclohexyl]amino]-5-methylpyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine

3-[2-[[4-(azetidin-1-yl)cyclohexyl]amino]-5-methylpyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine (PubChem CID 154601372) has the molecular formula C25H29N9 and a molecular weight of 455.57 g/mol. Its IUPAC name is 3-[2-[[4-(azetidin-1-yl)cyclohexyl]amino]-5-methylpyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound Name3-[2-[[4-(azetidin-1-yl)cyclohexyl]amino]-5-methylpyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine
PubChem CID154601372
Molecular FormulaC25H29N9
Molecular Weight455.57 g/mol
Exact Mass455.25
IUPAC Name3-[2-[[4-(azetidin-1-yl)cyclohexyl]amino]-5-methylpyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine
SMILESCc1cnc(NC2CCC(N3CCC3)CC2)nc1-c1cnc2ccc(Nc3cncnc3)cn12
InChIInChI=1S/C25H29N9/c1-17-11-29-25(31-18-3-6-21(7-4-18)33-9-2-10-33)32-24(17)22-14-28-23-8-5-19(15-34(22)23)30-20-12-26-16-27-13-20/h5,8,11-16,18,21,30H,2-4,6-7,9-10H2,1H3,(H,29,31,32)
InChIKeyACZZXOFCXJVABN-UHFFFAOYSA-N
XLogP4.06
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[2-[[4-(azetidin-1-yl)cyclohexyl]amino]-5-methylpyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine with MolForge

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Related Compounds

3-[5-methyl-2-[[4-(methylamino)cyclohexyl]methylideneamino]pyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine
CID 135301126
4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 135301300
4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 154601382
4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 154601410
4-N-[5-fluoro-4-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 154601425
4-N-[5-fluoro-4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine
CID 142408387
4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 154995788
1-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine
CID 152506126
4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 154601412
4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine
CID 142408363
N-cyclopropyl-5-[[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
CID 156725860
4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine
CID 154601404

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(azetidin-1-yl)cyclohexyl]amino]-5-methylpyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine?
The IUPAC name of 3-[2-[[4-(azetidin-1-yl)cyclohexyl]amino]-5-methylpyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine (CID 154601372) is 3-[2-[[4-(azetidin-1-yl)cyclohexyl]amino]-5-methylpyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for 3-[2-[[4-(azetidin-1-yl)cyclohexyl]amino]-5-methylpyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for 3-[2-[[4-(azetidin-1-yl)cyclohexyl]amino]-5-methylpyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine is Cc1cnc(NC2CCC(N3CCC3)CC2)nc1-c1cnc2ccc(Nc3cncnc3)cn12.
What is the InChIKey of 3-[2-[[4-(azetidin-1-yl)cyclohexyl]amino]-5-methylpyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine?
The InChIKey is ACZZXOFCXJVABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9/c1-17-11-29-25(31-18-3-6-21(7-4-18)33-9-2-10-33)32-24(17)22-14-28-23-8-5-19(15-34(22)23)30-20-12-26-16-27-13-20/h5,8,11-16,18,21,30H,2-4,6-7,9-10H2,1H3,(H,29,31,32).
What are the key properties of 3-[2-[[4-(azetidin-1-yl)cyclohexyl]amino]-5-methylpyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine?
3-[2-[[4-(azetidin-1-yl)cyclohexyl]amino]-5-methylpyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine has a molecular weight of 455.57 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(azetidin-1-yl)cyclohexyl]amino]-5-methylpyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 154601372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).