(1R)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide

C18H24N6O — CID 92577959

IUPAC(1R)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCn1nc([C@H]2CCNC2)c2nccnc21)[C@H]1CC=CCC1
InChIInChI=1S/C18H24N6O/c25-18(13-4-2-1-3-5-13)22-10-11-24-17-16(20-8-9-21-17)15(23-24)14-6-7-19-12-14/h1-2,8-9,13-14,19H,3-7,10-12H2,(H,22,25)/t13-,14-/m0/s1
InChIKeyPOHXILHRTPYKRY-KBPBESRZSA-N
MW340.43 g/mol
LogP1.38
Rot. Bonds5

About (1R)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 92577959) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is (1R)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID92577959
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name(1R)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCn1nc([C@H]2CCNC2)c2nccnc21)[C@H]1CC=CCC1
InChIInChI=1S/C18H24N6O/c25-18(13-4-2-1-3-5-13)22-10-11-24-17-16(20-8-9-21-17)15(23-24)14-6-7-19-12-14/h1-2,8-9,13-14,19H,3-7,10-12H2,(H,22,25)/t13-,14-/m0/s1
InChIKeyPOHXILHRTPYKRY-KBPBESRZSA-N
XLogP1.38
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclopent-2-en-1-yl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]acetamide
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2-cyclohexyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
CID 92577975
3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide
CID 92552232
N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide
CID 110242274
2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide
CID 92600515
N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 110246025
2-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide
CID 110242284
(2S)-2-(4-methylphenoxy)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide
CID 92557951
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethanamine
CID 92596355
N-[2-[3-[(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide
CID 125025582
(1R)-N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 97427522
(2R)-1-(4-fluorophenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propan-2-amine
CID 92582092

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide (CID 92577959) is (1R)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide is O=C(NCCn1nc([C@H]2CCNC2)c2nccnc21)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is POHXILHRTPYKRY-KBPBESRZSA-N. The full InChI is InChI=1S/C18H24N6O/c25-18(13-4-2-1-3-5-13)22-10-11-24-17-16(20-8-9-21-17)15(23-24)14-6-7-19-12-14/h1-2,8-9,13-14,19H,3-7,10-12H2,(H,22,25)/t13-,14-/m0/s1.
What are the key properties of (1R)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 92577959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).