N-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide

C19H26N4O2S — CID 124782236

IUPACN-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide
SMILESO=C(NC[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1)c1ccsc1
InChIInChI=1S/C19H26N4O2S/c24-19(17-4-8-26-14-17)20-9-16-11-22(10-15-2-6-25-7-3-15)13-18-1-5-21-23(18)12-16/h1,4-5,8,14-16H,2-3,6-7,9-13H2,(H,20,24)/t16-/m1/s1
InChIKeyQEFFCOUTEQOHSV-MRXNPFEDSA-N
MW374.51 g/mol
LogP2.23
Rot. Bonds5

About N-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide

N-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide (PubChem CID 124782236) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide
PubChem CID124782236
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide
SMILESO=C(NC[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1)c1ccsc1
InChIInChI=1S/C19H26N4O2S/c24-19(17-4-8-26-14-17)20-9-16-11-22(10-15-2-6-25-7-3-15)13-18-1-5-21-23(18)12-16/h1,4-5,8,14-16H,2-3,6-7,9-13H2,(H,20,24)/t16-/m1/s1
InChIKeyQEFFCOUTEQOHSV-MRXNPFEDSA-N
XLogP2.23
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[[5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyridazine-4-carboxamide
CID 131671990
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-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide
CID 124781272
(7R)-7-(ethoxymethyl)-5-[[(3S)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 124521580
[(7S)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-thiophen-3-ylmethanone
CID 97463321
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
N-[[(7R)-5-(2-thiophen-3-ylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124782118
[(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone
CID 124793376
(7S)-5-(oxan-4-ylmethyl)-7-(pyridin-3-ylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 124909459
N-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide
CID 131659331
1-(azetidin-1-yl)-2-[(7S)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 124791182
N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide
CID 71810228

Frequently Asked Questions

What is the IUPAC name of N-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of 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) is N-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide is O=C(NC[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1)c1ccsc1.
What is the InChIKey of N-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide?
The InChIKey is QEFFCOUTEQOHSV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O2S/c24-19(17-4-8-26-14-17)20-9-16-11-22(10-15-2-6-25-7-3-15)13-18-1-5-21-23(18)12-16/h1,4-5,8,14-16H,2-3,6-7,9-13H2,(H,20,24)/t16-/m1/s1.
What are the key properties of N-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide?
N-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 124782236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).