N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride

C17H23Cl2N7O — CID 155938444

IUPACN-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
SMILESCCC(NC(=O)c1cn2c(n1)CCNCC2)c1cn2cccnc2n1.Cl.Cl
InChIInChI=1S/C17H21N7O.2ClH/c1-2-12(13-10-24-8-3-5-19-17(24)22-13)21-16(25)14-11-23-9-7-18-6-4-15(23)20-14;;/h3,5,8,10-12,18H,2,4,6-7,9H2,1H3,(H,21,25);2*1H
InChIKeySPEBJBHHFSVLIW-UHFFFAOYSA-N
MW412.33 g/mol
LogP1.80
Rot. Bonds4

About N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride

N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride (PubChem CID 155938444) has the molecular formula C17H23Cl2N7O and a molecular weight of 412.33 g/mol. Its IUPAC name is N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
PubChem CID155938444
Molecular FormulaC17H23Cl2N7O
Molecular Weight412.33 g/mol
Exact Mass411.13
IUPAC NameN-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
SMILESCCC(NC(=O)c1cn2c(n1)CCNCC2)c1cn2cccnc2n1.Cl.Cl
InChIInChI=1S/C17H21N7O.2ClH/c1-2-12(13-10-24-8-3-5-19-17(24)22-13)21-16(25)14-11-23-9-7-18-6-4-15(23)20-14;;/h3,5,8,10-12,18H,2,4,6-7,9H2,1H3,(H,21,25);2*1H
InChIKeySPEBJBHHFSVLIW-UHFFFAOYSA-N
XLogP1.80
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 72143175
1-cyclohexyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 42196365
3-Amino-1-{imidazo[1,2-a]pyrimidin-3-yl}propan-1-one dihydrochloride
CID 71733475
N-[2-(1H-Imidazol-4-YL)ethyl]imidazo[1,2-A]pyrimidine-2-carboxamide
CID 74232244
N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 99955464
CID 174069620
CID 174069620
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide
CID 77093248
9-(3-Butenyl)-2-(2-(3-butenyl)-1H-imidazol-1-yl)-4-ethylimidazo[5,1-h]pteridin-6(5H)-one
CID 9800516
9-(3-Butenyl)-2-(1H-imidazol-1-yl)-4-ethylimidazo[5,1-h]pteridin-6(5H)-one
CID 9884150
3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 139358033
7-(azepan-1-yl)-N-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 170596137
2-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 56719052

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride (CID 155938444) is N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride is CCC(NC(=O)c1cn2c(n1)CCNCC2)c1cn2cccnc2n1.Cl.Cl.
What is the InChIKey of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride?
The InChIKey is SPEBJBHHFSVLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O.2ClH/c1-2-12(13-10-24-8-3-5-19-17(24)22-13)21-16(25)14-11-23-9-7-18-6-4-15(23)20-14;;/h3,5,8,10-12,18H,2,4,6-7,9H2,1H3,(H,21,25);2*1H.
What are the key properties of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride?
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride has a molecular weight of 412.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 155938444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).