9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole

C20H20N4 — CID 95141152

IUPAC9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole
SMILESCCn1c2ccccc2c2cc([C@@H]3NCCc4[nH]cnc43)ccc21
InChIInChI=1S/C20H20N4/c1-2-24-17-6-4-3-5-14(17)15-11-13(7-8-18(15)24)19-20-16(9-10-21-19)22-12-23-20/h3-8,11-12,19,21H,2,9-10H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyRHJVTYOEYJRKPM-IBGZPJMESA-N
MW316.41 g/mol
LogP3.77
Rot. Bonds2

About 9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole

9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole (PubChem CID 95141152) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole
PubChem CID95141152
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole
SMILESCCn1c2ccccc2c2cc([C@@H]3NCCc4[nH]cnc43)ccc21
InChIInChI=1S/C20H20N4/c1-2-24-17-6-4-3-5-14(17)15-11-13(7-8-18(15)24)19-20-16(9-10-21-19)22-12-23-20/h3-8,11-12,19,21H,2,9-10H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyRHJVTYOEYJRKPM-IBGZPJMESA-N
XLogP3.77
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole?
The IUPAC name of 9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole (CID 95141152) is 9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole.
What is the SMILES notation for 9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole?
The canonical SMILES for 9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole is CCn1c2ccccc2c2cc([C@@H]3NCCc4[nH]cnc43)ccc21.
What is the InChIKey of 9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole?
The InChIKey is RHJVTYOEYJRKPM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20N4/c1-2-24-17-6-4-3-5-14(17)15-11-13(7-8-18(15)24)19-20-16(9-10-21-19)22-12-23-20/h3-8,11-12,19,21H,2,9-10H2,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of 9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole?
9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole has a molecular weight of 316.41 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole is sourced from PubChem (CID 95141152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).