N-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide

C19H22N4O2S — CID 124912648

IUPACN-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide
SMILESCc1ccsc1CN1Cc2ccnn2C[C@H](CNC(=O)c2ccco2)C1
InChIInChI=1S/C19H22N4O2S/c1-14-5-8-26-18(14)13-22-10-15(11-23-16(12-22)4-6-21-23)9-20-19(24)17-3-2-7-25-17/h2-8,15H,9-13H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyVKUCSDSFQGQQPE-OAHLLOKOSA-N
MW370.48 g/mol
LogP2.91
Rot. Bonds5

About N-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide

N-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide (PubChem CID 124912648) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide
PubChem CID124912648
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide
SMILESCc1ccsc1CN1Cc2ccnn2C[C@H](CNC(=O)c2ccco2)C1
InChIInChI=1S/C19H22N4O2S/c1-14-5-8-26-18(14)13-22-10-15(11-23-16(12-22)4-6-21-23)9-20-19(24)17-3-2-7-25-17/h2-8,15H,9-13H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyVKUCSDSFQGQQPE-OAHLLOKOSA-N
XLogP2.91
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide
CID 133144224
N-[2-[5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155863842
N-(furan-2-ylmethyl)-2-[(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124912511
5-[(3-methylthiophen-2-yl)methyl]-7-(pyridin-4-ylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155844173
N-[[5-[(4-chlorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-2-methoxyacetamide
CID 131663081
N-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124820243
N-[2-[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide
CID 124812217
N-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide
CID 124782236
N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 166256117
N-[2-(5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)ethyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155839460
N-[[5-[(3,4-difluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-2-methoxyacetamide
CID 131656327
N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 25450902

Frequently Asked Questions

What is the IUPAC name of N-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide (CID 124912648) is N-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide is Cc1ccsc1CN1Cc2ccnn2C[C@H](CNC(=O)c2ccco2)C1.
What is the InChIKey of N-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide?
The InChIKey is VKUCSDSFQGQQPE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14-5-8-26-18(14)13-22-10-15(11-23-16(12-22)4-6-21-23)9-20-19(24)17-3-2-7-25-17/h2-8,15H,9-13H2,1H3,(H,20,24)/t15-/m1/s1.
What are the key properties of N-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide?
N-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 124912648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).