N-cyclohexyl-3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propanamide

C19H28N6O — CID 56910459

IUPACN-cyclohexyl-3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propanamide
SMILESO=C(CCn1ccnc1-c1cc2n(n1)CCCNC2)NC1CCCCC1
InChIInChI=1S/C19H28N6O/c26-18(22-15-5-2-1-3-6-15)7-11-24-12-9-21-19(24)17-13-16-14-20-8-4-10-25(16)23-17/h9,12-13,15,20H,1-8,10-11,14H2,(H,22,26)
InChIKeyQTBMGIQKJDXRMQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.08
Rot. Bonds5

About N-cyclohexyl-3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propanamide

N-cyclohexyl-3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propanamide (PubChem CID 56910459) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propanamide
PubChem CID56910459
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-cyclohexyl-3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propanamide
SMILESO=C(CCn1ccnc1-c1cc2n(n1)CCCNC2)NC1CCCCC1
InChIInChI=1S/C19H28N6O/c26-18(22-15-5-2-1-3-6-15)7-11-24-12-9-21-19(24)17-13-16-14-20-8-4-10-25(16)23-17/h9,12-13,15,20H,1-8,10-11,14H2,(H,22,26)
InChIKeyQTBMGIQKJDXRMQ-UHFFFAOYSA-N
XLogP2.08
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propanamide (CID 56910459) is N-cyclohexyl-3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propanamide is O=C(CCn1ccnc1-c1cc2n(n1)CCCNC2)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propanamide?
The InChIKey is QTBMGIQKJDXRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c26-18(22-15-5-2-1-3-6-15)7-11-24-12-9-21-19(24)17-13-16-14-20-8-4-10-25(16)23-17/h9,12-13,15,20H,1-8,10-11,14H2,(H,22,26).
What are the key properties of N-cyclohexyl-3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propanamide?
N-cyclohexyl-3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propanamide has a molecular weight of 356.47 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propanamide is sourced from PubChem (CID 56910459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).