cyclopropyl-[4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)piperazin-1-yl]methanone

C23H26N4O — CID 142445301

IUPACcyclopropyl-[4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2[nH]c3ccc4nccc4c3c3c2CCCC3)CC1
InChIInChI=1S/C23H26N4O/c28-23(15-5-6-15)27-13-11-26(12-14-27)22-17-4-2-1-3-16(17)21-18-9-10-24-19(18)7-8-20(21)25-22/h7-10,15,25H,1-6,11-14H2
InChIKeyXVRFJVAGZFGNBR-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.65
Rot. Bonds2

About cyclopropyl-[4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)piperazin-1-yl]methanone

cyclopropyl-[4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)piperazin-1-yl]methanone (PubChem CID 142445301) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is cyclopropyl-[4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)piperazin-1-yl]methanone
PubChem CID142445301
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Namecyclopropyl-[4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2[nH]c3ccc4nccc4c3c3c2CCCC3)CC1
InChIInChI=1S/C23H26N4O/c28-23(15-5-6-15)27-13-11-26(12-14-27)22-17-4-2-1-3-16(17)21-18-9-10-24-19(18)7-8-20(21)25-22/h7-10,15,25H,1-6,11-14H2
InChIKeyXVRFJVAGZFGNBR-UHFFFAOYSA-N
XLogP3.65
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133467900
cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
CID 126896004
cyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133498856
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 91952391
[4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 166110470
[4-[2-(4-cyclobutyloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclopropylmethanone
CID 138569901
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 94283741
(4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203593
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3H-quinazolin-4-one
CID 137267488

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)piperazin-1-yl]methanone (CID 142445301) is cyclopropyl-[4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(c2[nH]c3ccc4nccc4c3c3c2CCCC3)CC1.
What is the InChIKey of cyclopropyl-[4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)piperazin-1-yl]methanone?
The InChIKey is XVRFJVAGZFGNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(15-5-6-15)27-13-11-26(12-14-27)22-17-4-2-1-3-16(17)21-18-9-10-24-19(18)7-8-20(21)25-22/h7-10,15,25H,1-6,11-14H2.
What are the key properties of cyclopropyl-[4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)piperazin-1-yl]methanone?
cyclopropyl-[4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)piperazin-1-yl]methanone has a molecular weight of 374.49 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 142445301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).