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

C22H30N8O — CID 169303637

IUPACcis-(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
SMILESCCc1nc2c(N)ncc(-c3cnn(C4CCNCC4)c3)c2nc1N[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C22H30N8O/c1-2-18-22(27-14-3-4-16(31)9-14)29-19-17(11-25-21(23)20(19)28-18)13-10-26-30(12-13)15-5-7-24-8-6-15/h10-12,14-16,24,31H,2-9H2,1H3,(H2,23,25)(H,27,29)/t14-,16+/m1/s1
InChIKeyIKGQZZXALZWGTP-ZBFHGGJFSA-N
MW422.54 g/mol
LogP2.28
Rot. Bonds5

About 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

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 (PubChem CID 169303637) has the molecular formula C22H30N8O and a molecular weight of 422.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecis-(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
PubChem CID169303637
Molecular FormulaC22H30N8O
Molecular Weight422.54 g/mol
Exact Mass422.25
IUPAC Namecis-(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
SMILESCCc1nc2c(N)ncc(-c3cnn(C4CCNCC4)c3)c2nc1N[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C22H30N8O/c1-2-18-22(27-14-3-4-16(31)9-14)29-19-17(11-25-21(23)20(19)28-18)13-10-26-30(12-13)15-5-7-24-8-6-15/h10-12,14-16,24,31H,2-9H2,1H3,(H2,23,25)(H,27,29)/t14-,16+/m1/s1
InChIKeyIKGQZZXALZWGTP-ZBFHGGJFSA-N
XLogP2.28
TPSA126.80 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303809
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-[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-(oxetan-3-ylmethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303894
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-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303793
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
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
8-[1-(1-butan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-ethyl-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303750
3-ethyl-8-[1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]pyrazol-4-yl]-2-N-(oxan-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303983
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2c(N)ncc(-c3cnn(C4CCNCC4)c3)c2nc1N[C@@H]1CC[C@H](O)C1.
What is the InChIKey of 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?
The InChIKey is IKGQZZXALZWGTP-ZBFHGGJFSA-N. The full InChI is InChI=1S/C22H30N8O/c1-2-18-22(27-14-3-4-16(31)9-14)29-19-17(11-25-21(23)20(19)28-18)13-10-26-30(12-13)15-5-7-24-8-6-15/h10-12,14-16,24,31H,2-9H2,1H3,(H2,23,25)(H,27,29)/t14-,16+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 422.54 g/mol, XLogP of 2.28, 5 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-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 169303637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).