4-[1-(1,8-naphthyridin-2-yl)-5-piperazin-1-yl-6-piperidin-1-yl-4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyridinyl]morpholine

C39H42N12O — CID 141135679

IUPAC4-[1-(1,8-naphthyridin-2-yl)-5-piperazin-1-yl-6-piperidin-1-yl-4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyridinyl]morpholine
SMILESc1ccc(C2(N3CCOCC3)C(c3cccnn3)=C(c3cnccn3)C(N3CCNCC3)=C(N3CCCCC3)N2c2ccc3cccnc3n2)nc1
InChIInChI=1S/C39H42N12O/c1-4-20-49(21-5-1)38-36(48-22-18-40-19-23-48)34(31-28-41-16-17-42-31)35(30-9-7-15-45-47-30)39(32-10-2-3-13-43-32,50-24-26-52-27-25-50)51(38)33-12-11-29-8-6-14-44-37(29)46-33/h2-3,6-17,28,40H,1,4-5,18-27H2
InChIKeyNTCVRVMTMOCQOA-UHFFFAOYSA-N
MW694.85 g/mol
LogP3.78
Rot. Bonds7

About 4-[1-(1,8-naphthyridin-2-yl)-5-piperazin-1-yl-6-piperidin-1-yl-4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyridinyl]morpholine

4-[1-(1,8-naphthyridin-2-yl)-5-piperazin-1-yl-6-piperidin-1-yl-4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyridinyl]morpholine (PubChem CID 141135679) has the molecular formula C39H42N12O and a molecular weight of 694.85 g/mol. Its IUPAC name is 4-[1-(1,8-naphthyridin-2-yl)-5-piperazin-1-yl-6-piperidin-1-yl-4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[1-(1,8-naphthyridin-2-yl)-5-piperazin-1-yl-6-piperidin-1-yl-4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyridinyl]morpholine
PubChem CID141135679
Molecular FormulaC39H42N12O
Molecular Weight694.85 g/mol
Exact Mass694.36
IUPAC Name4-[1-(1,8-naphthyridin-2-yl)-5-piperazin-1-yl-6-piperidin-1-yl-4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyridinyl]morpholine
SMILESc1ccc(C2(N3CCOCC3)C(c3cccnn3)=C(c3cnccn3)C(N3CCNCC3)=C(N3CCCCC3)N2c2ccc3cccnc3n2)nc1
InChIInChI=1S/C39H42N12O/c1-4-20-49(21-5-1)38-36(48-22-18-40-19-23-48)34(31-28-41-16-17-42-31)35(30-9-7-15-45-47-30)39(32-10-2-3-13-43-32,50-24-26-52-27-25-50)51(38)33-12-11-29-8-6-14-44-37(29)46-33/h2-3,6-17,28,40H,1,4-5,18-27H2
InChIKeyNTCVRVMTMOCQOA-UHFFFAOYSA-N
XLogP3.78
TPSA124.45 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.85
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 4-[1-(1,8-naphthyridin-2-yl)-5-piperazin-1-yl-6-piperidin-1-yl-4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyridinyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bay-41-8543
CID 9953906
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
2-(1-{[2-(2-Aminopyrimidin-5-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CID 53378053
5-[4-(Aminomethyl)-1-piperidinyl]-1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11568346
5-(4-aminopiperidin-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11575452
1-(2-ethoxyethyl)-3-ethyl-N5-(1-methylpiperidin-4-yl)-N7-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 11647832
1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}-3-pyridin-3-ylurea
CID 25195682
1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 46887035
1-(2-ethoxyethyl)-3-ethyl-5-(4-methylpiperazin-1-yl)-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46888560
4-[3-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 86582454
4-N-(3-methylphenyl)-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328378
4-N-(3-methylphenyl)-6-N-[3-(morpholin-4-yl)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328379

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,8-naphthyridin-2-yl)-5-piperazin-1-yl-6-piperidin-1-yl-4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyridinyl]morpholine?
The IUPAC name of 4-[1-(1,8-naphthyridin-2-yl)-5-piperazin-1-yl-6-piperidin-1-yl-4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyridinyl]morpholine (CID 141135679) is 4-[1-(1,8-naphthyridin-2-yl)-5-piperazin-1-yl-6-piperidin-1-yl-4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[1-(1,8-naphthyridin-2-yl)-5-piperazin-1-yl-6-piperidin-1-yl-4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyridinyl]morpholine?
The canonical SMILES for 4-[1-(1,8-naphthyridin-2-yl)-5-piperazin-1-yl-6-piperidin-1-yl-4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyridinyl]morpholine is c1ccc(C2(N3CCOCC3)C(c3cccnn3)=C(c3cnccn3)C(N3CCNCC3)=C(N3CCCCC3)N2c2ccc3cccnc3n2)nc1.
What is the InChIKey of 4-[1-(1,8-naphthyridin-2-yl)-5-piperazin-1-yl-6-piperidin-1-yl-4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyridinyl]morpholine?
The InChIKey is NTCVRVMTMOCQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N12O/c1-4-20-49(21-5-1)38-36(48-22-18-40-19-23-48)34(31-28-41-16-17-42-31)35(30-9-7-15-45-47-30)39(32-10-2-3-13-43-32,50-24-26-52-27-25-50)51(38)33-12-11-29-8-6-14-44-37(29)46-33/h2-3,6-17,28,40H,1,4-5,18-27H2.
What are the key properties of 4-[1-(1,8-naphthyridin-2-yl)-5-piperazin-1-yl-6-piperidin-1-yl-4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyridinyl]morpholine?
4-[1-(1,8-naphthyridin-2-yl)-5-piperazin-1-yl-6-piperidin-1-yl-4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyridinyl]morpholine has a molecular weight of 694.85 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,8-naphthyridin-2-yl)-5-piperazin-1-yl-6-piperidin-1-yl-4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyridinyl]morpholine is sourced from PubChem (CID 141135679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).