N-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide

C18H27N5O — CID 118769724

IUPACN-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1cc2n(n1)CCN(CC1[C@H]3CNC[C@@H]13)C2)C1CCC1
InChIInChI=1S/C18H27N5O/c24-18(12-2-1-3-12)20-7-13-6-14-10-22(4-5-23(14)21-13)11-17-15-8-19-9-16(15)17/h6,12,15-17,19H,1-5,7-11H2,(H,20,24)/t15-,16+,17?
InChIKeyNHVMXPSGRIMDGQ-SJPCQFCGSA-N
MW329.45 g/mol
LogP0.58
Rot. Bonds5

About N-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide

N-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 118769724) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID118769724
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1cc2n(n1)CCN(CC1[C@H]3CNC[C@@H]13)C2)C1CCC1
InChIInChI=1S/C18H27N5O/c24-18(12-2-1-3-12)20-7-13-6-14-10-22(4-5-23(14)21-13)11-17-15-8-19-9-16(15)17/h6,12,15-17,19H,1-5,7-11H2,(H,20,24)/t15-,16+,17?
InChIKeyNHVMXPSGRIMDGQ-SJPCQFCGSA-N
XLogP0.58
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide with MolForge

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Related Compounds

N-[[5-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 125158123
N-[[5-[(3-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118784008
N-[[5-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118763926
N-[[5-[(2-ethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118787943
N-[[5-[(2R)-2,3-dihydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 96577631
N-[[5-[(5-ethyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118771707
N-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118790451
N-[[5-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118772109
N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118772302
2-[[2-[(cyclobutanecarbonylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]benzoic acid
CID 72894124
N-[[5-[(5-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 70704905
N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 122561253

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide (CID 118769724) is N-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide is O=C(NCc1cc2n(n1)CCN(CC1[C@H]3CNC[C@@H]13)C2)C1CCC1.
What is the InChIKey of N-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is NHVMXPSGRIMDGQ-SJPCQFCGSA-N. The full InChI is InChI=1S/C18H27N5O/c24-18(12-2-1-3-12)20-7-13-6-14-10-22(4-5-23(14)21-13)11-17-15-8-19-9-16(15)17/h6,12,15-17,19H,1-5,7-11H2,(H,20,24)/t15-,16+,17?.
What are the key properties of N-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
N-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 329.45 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 118769724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).