4-(dimethylamino)-N-(3-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide

C24H29FN6O — CID 127047270

IUPAC4-(dimethylamino)-N-(3-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
SMILESCN(C)C1(C(=O)Nc2cccc(F)c2)CCN(c2ncnc3[nH]c4c(c23)CCCC4)CC1
InChIInChI=1S/C24H29FN6O/c1-30(2)24(23(32)28-17-7-5-6-16(25)14-17)10-12-31(13-11-24)22-20-18-8-3-4-9-19(18)29-21(20)26-15-27-22/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,28,32)(H,26,27,29)
InChIKeySYBULHVKMWRDDE-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.52
Rot. Bonds4

About 4-(dimethylamino)-N-(3-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide

4-(dimethylamino)-N-(3-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide (PubChem CID 127047270) has the molecular formula C24H29FN6O and a molecular weight of 436.54 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(3-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(3-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
PubChem CID127047270
Molecular FormulaC24H29FN6O
Molecular Weight436.54 g/mol
Exact Mass436.24
IUPAC Name4-(dimethylamino)-N-(3-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
SMILESCN(C)C1(C(=O)Nc2cccc(F)c2)CCN(c2ncnc3[nH]c4c(c23)CCCC4)CC1
InChIInChI=1S/C24H29FN6O/c1-30(2)24(23(32)28-17-7-5-6-16(25)14-17)10-12-31(13-11-24)22-20-18-8-3-4-9-19(18)29-21(20)26-15-27-22/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,28,32)(H,26,27,29)
InChIKeySYBULHVKMWRDDE-UHFFFAOYSA-N
XLogP3.52
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[4-(dimethylamino)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 127047267
4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
CID 127045879
4-(dimethylamino)-N-(2-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
CID 127047397
4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 123468186
N-(3-fluorophenyl)-4-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 162361954
propan-2-yl 3-[[4-[(dimethylamino)methyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 122189160
[3-[[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 118091269
N-[[3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-3-fluorobenzamide
CID 46837905
N-(3-chlorophenyl)-4-(4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 162362069
2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765588
4-(3-fluoroanilino)-N-propan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;formic acid
CID 155878709
6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine
CID 3841720

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(3-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-(3-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide (CID 127047270) is 4-(dimethylamino)-N-(3-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-(3-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-(3-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide is CN(C)C1(C(=O)Nc2cccc(F)c2)CCN(c2ncnc3[nH]c4c(c23)CCCC4)CC1.
What is the InChIKey of 4-(dimethylamino)-N-(3-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide?
The InChIKey is SYBULHVKMWRDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O/c1-30(2)24(23(32)28-17-7-5-6-16(25)14-17)10-12-31(13-11-24)22-20-18-8-3-4-9-19(18)29-21(20)26-15-27-22/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,28,32)(H,26,27,29).
What are the key properties of 4-(dimethylamino)-N-(3-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide?
4-(dimethylamino)-N-(3-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(3-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 127047270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).