(6-hydroxy-4-pyrazin-2-yl-1,4-diazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

C16H20N6O2 — CID 74230585

IUPAC(6-hydroxy-4-pyrazin-2-yl-1,4-diazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCC2)N1CCN(c2cnccn2)CC(O)C1
InChIInChI=1S/C16H20N6O2/c23-11-9-21(14-8-17-4-5-18-14)6-7-22(10-11)16(24)15-12-2-1-3-13(12)19-20-15/h4-5,8,11,23H,1-3,6-7,9-10H2,(H,19,20)
InChIKeyLRURTESFYKQFJZ-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.01
Rot. Bonds2

About (6-hydroxy-4-pyrazin-2-yl-1,4-diazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

(6-hydroxy-4-pyrazin-2-yl-1,4-diazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 74230585) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is (6-hydroxy-4-pyrazin-2-yl-1,4-diazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(6-hydroxy-4-pyrazin-2-yl-1,4-diazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
PubChem CID74230585
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name(6-hydroxy-4-pyrazin-2-yl-1,4-diazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCC2)N1CCN(c2cnccn2)CC(O)C1
InChIInChI=1S/C16H20N6O2/c23-11-9-21(14-8-17-4-5-18-14)6-7-22(10-11)16(24)15-12-2-1-3-13(12)19-20-15/h4-5,8,11,23H,1-3,6-7,9-10H2,(H,19,20)
InChIKeyLRURTESFYKQFJZ-UHFFFAOYSA-N
XLogP0.01
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-pyrimidin-2-ylpiperazin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 110388861
(3-hydroxypiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110889660
1-methyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazine-2-carboxylic acid
CID 56721335
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 124966264
1-[4-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 46921350
[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 154887424
(3-aminopyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 112708550
4-[(3R)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202813
4-[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202812
pyrazin-2-yl-[(1S,5R)-6-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 72910120
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 53017418
1-[4-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 75489364

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-4-pyrazin-2-yl-1,4-diazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of (6-hydroxy-4-pyrazin-2-yl-1,4-diazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (CID 74230585) is (6-hydroxy-4-pyrazin-2-yl-1,4-diazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for (6-hydroxy-4-pyrazin-2-yl-1,4-diazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for (6-hydroxy-4-pyrazin-2-yl-1,4-diazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is O=C(c1n[nH]c2c1CCC2)N1CCN(c2cnccn2)CC(O)C1.
What is the InChIKey of (6-hydroxy-4-pyrazin-2-yl-1,4-diazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is LRURTESFYKQFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c23-11-9-21(14-8-17-4-5-18-14)6-7-22(10-11)16(24)15-12-2-1-3-13(12)19-20-15/h4-5,8,11,23H,1-3,6-7,9-10H2,(H,19,20).
What are the key properties of (6-hydroxy-4-pyrazin-2-yl-1,4-diazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
(6-hydroxy-4-pyrazin-2-yl-1,4-diazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 328.38 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-4-pyrazin-2-yl-1,4-diazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 74230585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).