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

C21H29N7O2 — CID 169303874

IUPACcis-(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
SMILESCCc1nc2c(N)ncc(-c3cnn(CC(C)(C)O)c3)c2nc1N[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C21H29N7O2/c1-4-16-20(25-13-5-6-14(29)7-13)27-17-15(9-23-19(22)18(17)26-16)12-8-24-28(10-12)11-21(2,3)30/h8-10,13-14,29-30H,4-7,11H2,1-3H3,(H2,22,23)(H,25,27)/t13-,14+/m1/s1
InChIKeyWHNVTZXDENUSDN-KGLIPLIRSA-N
MW411.51 g/mol
LogP2.13
Rot. Bonds6

About 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

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 (PubChem CID 169303874) has the molecular formula C21H29N7O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecis-(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
PubChem CID169303874
Molecular FormulaC21H29N7O2
Molecular Weight411.51 g/mol
Exact Mass411.24
IUPAC Namecis-(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
SMILESCCc1nc2c(N)ncc(-c3cnn(CC(C)(C)O)c3)c2nc1N[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C21H29N7O2/c1-4-16-20(25-13-5-6-14(29)7-13)27-17-15(9-23-19(22)18(17)26-16)12-8-24-28(10-12)11-21(2,3)30/h8-10,13-14,29-30H,4-7,11H2,1-3H3,(H2,22,23)(H,25,27)/t13-,14+/m1/s1
InChIKeyWHNVTZXDENUSDN-KGLIPLIRSA-N
XLogP2.13
TPSA135.00 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

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
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-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-8-[1-[4,4-bis(ethoxymethyl)cyclohexyl]pyrazol-4-yl]-3-ethylpyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303989
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-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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2c(N)ncc(-c3cnn(CC(C)(C)O)c3)c2nc1N[C@@H]1CC[C@H](O)C1.
What is the InChIKey of 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?
The InChIKey is WHNVTZXDENUSDN-KGLIPLIRSA-N. The full InChI is InChI=1S/C21H29N7O2/c1-4-16-20(25-13-5-6-14(29)7-13)27-17-15(9-23-19(22)18(17)26-16)12-8-24-28(10-12)11-21(2,3)30/h8-10,13-14,29-30H,4-7,11H2,1-3H3,(H2,22,23)(H,25,27)/t13-,14+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 411.51 g/mol, XLogP of 2.13, 6 rotatable bonds, 4 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-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 169303874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).