cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol

C24H34N8O — CID 169303793

IUPACcis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
SMILESCCc1nc2c(N)ncc(-c3cnn(CC4CCN(C)CC4)c3)c2nc1N[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C24H34N8O/c1-3-20-24(28-17-4-5-18(33)10-17)30-21-19(12-26-23(25)22(21)29-20)16-11-27-32(14-16)13-15-6-8-31(2)9-7-15/h11-12,14-15,17-18,33H,3-10,13H2,1-2H3,(H2,25,26)(H,28,30)/t17-,18+/m1/s1
InChIKeyRZMPDVWCRMRUSR-MSOLQXFVSA-N
MW450.59 g/mol
LogP2.70
Rot. Bonds6

About cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol

cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol (PubChem CID 169303793) has the molecular formula C24H34N8O and a molecular weight of 450.59 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
PubChem CID169303793
Molecular FormulaC24H34N8O
Molecular Weight450.59 g/mol
Exact Mass450.29
IUPAC Namecis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
SMILESCCc1nc2c(N)ncc(-c3cnn(CC4CCN(C)CC4)c3)c2nc1N[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C24H34N8O/c1-3-20-24(28-17-4-5-18(33)10-17)30-21-19(12-26-23(25)22(21)29-20)16-11-27-32(14-16)13-15-6-8-31(2)9-7-15/h11-12,14-15,17-18,33H,3-10,13H2,1-2H3,(H2,25,26)(H,28,30)/t17-,18+/m1/s1
InChIKeyRZMPDVWCRMRUSR-MSOLQXFVSA-N
XLogP2.70
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol?
The IUPAC name of cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol (CID 169303793) is cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol is CCc1nc2c(N)ncc(-c3cnn(CC4CCN(C)CC4)c3)c2nc1N[C@@H]1CC[C@H](O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol?
The InChIKey is RZMPDVWCRMRUSR-MSOLQXFVSA-N. The full InChI is InChI=1S/C24H34N8O/c1-3-20-24(28-17-4-5-18(33)10-17)30-21-19(12-26-23(25)22(21)29-20)16-11-27-32(14-16)13-15-6-8-31(2)9-7-15/h11-12,14-15,17-18,33H,3-10,13H2,1-2H3,(H2,25,26)(H,28,30)/t17-,18+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol?
cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol has a molecular weight of 450.59 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 169303793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).