N,N-diethyl-2-[4-[3-(1-methylpyrazol-4-yl)-9H-pyrido[3,4-b]indol-6-yl]pyrazol-1-yl]ethanamine

C24H27N7 — CID 53244661

IUPACN,N-diethyl-2-[4-[3-(1-methylpyrazol-4-yl)-9H-pyrido[3,4-b]indol-6-yl]pyrazol-1-yl]ethanamine
SMILESCCN(CC)CCn1cc(-c2ccc3[nH]c4cnc(-c5cnn(C)c5)cc4c3c2)cn1
InChIInChI=1S/C24H27N7/c1-4-30(5-2)8-9-31-16-18(12-27-31)17-6-7-22-20(10-17)21-11-23(25-14-24(21)28-22)19-13-26-29(3)15-19/h6-7,10-16,28H,4-5,8-9H2,1-3H3
InChIKeySARHVJLJBWYRHP-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.32
Rot. Bonds7

About N,N-diethyl-2-[4-[3-(1-methylpyrazol-4-yl)-9H-pyrido[3,4-b]indol-6-yl]pyrazol-1-yl]ethanamine

N,N-diethyl-2-[4-[3-(1-methylpyrazol-4-yl)-9H-pyrido[3,4-b]indol-6-yl]pyrazol-1-yl]ethanamine (PubChem CID 53244661) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[3-(1-methylpyrazol-4-yl)-9H-pyrido[3,4-b]indol-6-yl]pyrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[3-(1-methylpyrazol-4-yl)-9H-pyrido[3,4-b]indol-6-yl]pyrazol-1-yl]ethanamine
PubChem CID53244661
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC NameN,N-diethyl-2-[4-[3-(1-methylpyrazol-4-yl)-9H-pyrido[3,4-b]indol-6-yl]pyrazol-1-yl]ethanamine
SMILESCCN(CC)CCn1cc(-c2ccc3[nH]c4cnc(-c5cnn(C)c5)cc4c3c2)cn1
InChIInChI=1S/C24H27N7/c1-4-30(5-2)8-9-31-16-18(12-27-31)17-6-7-22-20(10-17)21-11-23(25-14-24(21)28-22)19-13-26-29(3)15-19/h6-7,10-16,28H,4-5,8-9H2,1-3H3
InChIKeySARHVJLJBWYRHP-UHFFFAOYSA-N
XLogP4.32
TPSA67.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-[4-[12-fluoro-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl]phenoxy]ethanamine
CID 67321282
CID 88936630
CID 88936630
N,N-dimethyl-2-[[3-[12-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-4-pyridinyl]oxy]ethanamine
CID 44546491
5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-amine
CID 161006901
5-ethyl-2-[4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 58266315
3-(2-fluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71254121
N-ethyl-3-[4-[6-(2-methoxyethoxy)-3-(1-methylpyrazol-4-yl)-9H-pyrido[3,4-b]indol-5-yl]phenoxy]propan-1-amine
CID 53246571
3-iodo-5-(1-methylpyrazol-4-yl)-2H-indazole
CID 90391133
3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137112975
5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 175067202
3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137111285
12-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58354739

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[3-(1-methylpyrazol-4-yl)-9H-pyrido[3,4-b]indol-6-yl]pyrazol-1-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[4-[3-(1-methylpyrazol-4-yl)-9H-pyrido[3,4-b]indol-6-yl]pyrazol-1-yl]ethanamine (CID 53244661) is N,N-diethyl-2-[4-[3-(1-methylpyrazol-4-yl)-9H-pyrido[3,4-b]indol-6-yl]pyrazol-1-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-[3-(1-methylpyrazol-4-yl)-9H-pyrido[3,4-b]indol-6-yl]pyrazol-1-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[4-[3-(1-methylpyrazol-4-yl)-9H-pyrido[3,4-b]indol-6-yl]pyrazol-1-yl]ethanamine is CCN(CC)CCn1cc(-c2ccc3[nH]c4cnc(-c5cnn(C)c5)cc4c3c2)cn1.
What is the InChIKey of N,N-diethyl-2-[4-[3-(1-methylpyrazol-4-yl)-9H-pyrido[3,4-b]indol-6-yl]pyrazol-1-yl]ethanamine?
The InChIKey is SARHVJLJBWYRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7/c1-4-30(5-2)8-9-31-16-18(12-27-31)17-6-7-22-20(10-17)21-11-23(25-14-24(21)28-22)19-13-26-29(3)15-19/h6-7,10-16,28H,4-5,8-9H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-[3-(1-methylpyrazol-4-yl)-9H-pyrido[3,4-b]indol-6-yl]pyrazol-1-yl]ethanamine?
N,N-diethyl-2-[4-[3-(1-methylpyrazol-4-yl)-9H-pyrido[3,4-b]indol-6-yl]pyrazol-1-yl]ethanamine has a molecular weight of 413.53 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[3-(1-methylpyrazol-4-yl)-9H-pyrido[3,4-b]indol-6-yl]pyrazol-1-yl]ethanamine is sourced from PubChem (CID 53244661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).