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

C21H27N7O2 — CID 169303894

IUPACcis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
SMILESCCc1nc2c(N)ncc(-c3cnn(CC4COC4)c3)c2nc1N[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C21H27N7O2/c1-2-17-21(25-14-3-4-15(29)5-14)27-18-16(7-23-20(22)19(18)26-17)13-6-24-28(9-13)8-12-10-30-11-12/h6-7,9,12,14-15,29H,2-5,8,10-11H2,1H3,(H2,22,23)(H,25,27)/t14-,15+/m1/s1
InChIKeyRNMGRYPQWUIBRV-CABCVRRESA-N
MW409.49 g/mol
LogP2.00
Rot. Bonds6

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

cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol (PubChem CID 169303894) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-(oxetan-3-ylmethyl)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-(oxetan-3-ylmethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
PubChem CID169303894
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Namecis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
SMILESCCc1nc2c(N)ncc(-c3cnn(CC4COC4)c3)c2nc1N[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C21H27N7O2/c1-2-17-21(25-14-3-4-15(29)5-14)27-18-16(7-23-20(22)19(18)26-17)13-6-24-28(9-13)8-12-10-30-11-12/h6-7,9,12,14-15,29H,2-5,8,10-11H2,1H3,(H2,22,23)(H,25,27)/t14-,15+/m1/s1
InChIKeyRNMGRYPQWUIBRV-CABCVRRESA-N
XLogP2.00
TPSA124.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

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
cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303874
cis-(1S,3R)-3-[[5-amino-3-ethyl-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303637
5-[4-[5-amino-3-ethyl-2-[[(1R,3S)-3-hydroxycyclopentyl]amino]pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]pyrimidine-2-carbonitrile
CID 169303632
cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303965
cis-(1S,3R)-3-[[5-amino-8-[1-[4,4-bis(ethoxymethyl)cyclohexyl]pyrazol-4-yl]-3-ethylpyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303989
4-[4-[4-[5-amino-3-ethyl-2-(oxan-4-ylamino)pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexan-1-ol
CID 169303628
cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303697
2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine
CID 170364241
3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303809
3-ethyl-8-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303822
2-N-cyclopentyl-3-ethyl-8-[1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine
CID 170364782

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-(oxetan-3-ylmethyl)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-(oxetan-3-ylmethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol (CID 169303894) is cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-(oxetan-3-ylmethyl)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-(oxetan-3-ylmethyl)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-(oxetan-3-ylmethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol is CCc1nc2c(N)ncc(-c3cnn(CC4COC4)c3)c2nc1N[C@@H]1CC[C@H](O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol?
The InChIKey is RNMGRYPQWUIBRV-CABCVRRESA-N. The full InChI is InChI=1S/C21H27N7O2/c1-2-17-21(25-14-3-4-15(29)5-14)27-18-16(7-23-20(22)19(18)26-17)13-6-24-28(9-13)8-12-10-30-11-12/h6-7,9,12,14-15,29H,2-5,8,10-11H2,1H3,(H2,22,23)(H,25,27)/t14-,15+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol?
cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol has a molecular weight of 409.49 g/mol, XLogP of 2.00, 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-(oxetan-3-ylmethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 169303894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).