N-[1-(2-methylpyrazol-3-yl)propyl]-7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

C20H30N6O2 — CID 157014241

IUPACN-[1-(2-methylpyrazol-3-yl)propyl]-7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESCCC(NC(=O)c1cn2c(n1)CCN(C1CCOCC1)CC2)c1ccnn1C
InChIInChI=1S/C20H30N6O2/c1-3-16(18-4-8-21-24(18)2)23-20(27)17-14-26-11-10-25(9-5-19(26)22-17)15-6-12-28-13-7-15/h4,8,14-16H,3,5-7,9-13H2,1-2H3,(H,23,27)
InChIKeyIPMYREDWVWMOPR-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.53
Rot. Bonds5

About N-[1-(2-methylpyrazol-3-yl)propyl]-7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

N-[1-(2-methylpyrazol-3-yl)propyl]-7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (PubChem CID 157014241) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)propyl]-7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)propyl]-7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
PubChem CID157014241
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN-[1-(2-methylpyrazol-3-yl)propyl]-7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESCCC(NC(=O)c1cn2c(n1)CCN(C1CCOCC1)CC2)c1ccnn1C
InChIInChI=1S/C20H30N6O2/c1-3-16(18-4-8-21-24(18)2)23-20(27)17-14-26-11-10-25(9-5-19(26)22-17)15-6-12-28-13-7-15/h4,8,14-16H,3,5-7,9-13H2,1-2H3,(H,23,27)
InChIKeyIPMYREDWVWMOPR-UHFFFAOYSA-N
XLogP1.53
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155909984
N-[1-(2-methylpyrazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 91842330
4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide
CID 124608917
3-hydroxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-2-carboxamide
CID 91773008
5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide
CID 91783089
N-[1-(4-methoxyphenyl)propyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
CID 53167866
2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
CID 91796797
N-[1-(2-methylpyrazol-3-yl)propyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 135120384
N-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 164638992
2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide
CID 50968548
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 126425657
[6-[1-(2-methylpyrazol-3-yl)propylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 134709508

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)propyl]-7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)propyl]-7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (CID 157014241) is N-[1-(2-methylpyrazol-3-yl)propyl]-7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)propyl]-7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)propyl]-7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is CCC(NC(=O)c1cn2c(n1)CCN(C1CCOCC1)CC2)c1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)propyl]-7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The InChIKey is IPMYREDWVWMOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-3-16(18-4-8-21-24(18)2)23-20(27)17-14-26-11-10-25(9-5-19(26)22-17)15-6-12-28-13-7-15/h4,8,14-16H,3,5-7,9-13H2,1-2H3,(H,23,27).
What are the key properties of N-[1-(2-methylpyrazol-3-yl)propyl]-7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
N-[1-(2-methylpyrazol-3-yl)propyl]-7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)propyl]-7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 157014241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).