3-[1-[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine

C31H27N13S — CID 143465129

IUPAC3-[1-[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1csc(Nc2nccn3c(-c4cnn(Cc5cnc(C)cc5Nc5nccn6c(-c7cnn(C)c7)cnc56)c4)cnc23)c1
InChIInChI=1S/C31H27N13S/c1-19-8-27(45-18-19)40-29-31-36-14-26(44(31)7-5-33-29)23-12-38-42(17-23)16-21-10-34-20(2)9-24(21)39-28-30-35-13-25(43(30)6-4-32-28)22-11-37-41(3)15-22/h4-15,17-18H,16H2,1-3H3,(H,33,40)(H,32,34,39)
InChIKeyZKLLIRXBTRCCER-UHFFFAOYSA-N
MW613.72 g/mol
LogP5.64
Rot. Bonds8

About 3-[1-[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine

3-[1-[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 143465129) has the molecular formula C31H27N13S and a molecular weight of 613.72 g/mol. Its IUPAC name is 3-[1-[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[1-[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID143465129
Molecular FormulaC31H27N13S
Molecular Weight613.72 g/mol
Exact Mass613.22
IUPAC Name3-[1-[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1csc(Nc2nccn3c(-c4cnn(Cc5cnc(C)cc5Nc5nccn6c(-c7cnn(C)c7)cnc56)c4)cnc23)c1
InChIInChI=1S/C31H27N13S/c1-19-8-27(45-18-19)40-29-31-36-14-26(44(31)7-5-33-29)23-12-38-42(17-23)16-21-10-34-20(2)9-24(21)39-28-30-35-13-25(43(30)6-4-32-28)22-11-37-41(3)15-22/h4-15,17-18H,16H2,1-3H3,(H,33,40)(H,32,34,39)
InChIKeyZKLLIRXBTRCCER-UHFFFAOYSA-N
XLogP5.64
TPSA132.97 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 3-[1-[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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Related Compounds

N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine
CID 25145716
Aurora inhibitor 1
CID 51003133
N-(2-aminoethyl)-12-methyl-4-(1H-pyrazol-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093431
4-(1-Phenyl-3-thiophen-2-ylpyrazol-4-yl)-4,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 2998031
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 11632327
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(6-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25143601
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(5-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145713
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145714
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(3-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145715
2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 44177727
2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-pyridin-2-ylacetamide
CID 44178067
2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-pyridin-3-ylacetamide
CID 44178068

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-[1-[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine (CID 143465129) is 3-[1-[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-[1-[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-[1-[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine is Cc1csc(Nc2nccn3c(-c4cnn(Cc5cnc(C)cc5Nc5nccn6c(-c7cnn(C)c7)cnc56)c4)cnc23)c1.
What is the InChIKey of 3-[1-[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is ZKLLIRXBTRCCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N13S/c1-19-8-27(45-18-19)40-29-31-36-14-26(44(31)7-5-33-29)23-12-38-42(17-23)16-21-10-34-20(2)9-24(21)39-28-30-35-13-25(43(30)6-4-32-28)22-11-37-41(3)15-22/h4-15,17-18H,16H2,1-3H3,(H,33,40)(H,32,34,39).
What are the key properties of 3-[1-[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
3-[1-[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 613.72 g/mol, XLogP of 5.64, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 143465129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).