N-[5-(cyclohexylmethyl)pyridazin-3-yl]-7-[1-[2-(1-propan-2-ylazetidin-3-yl)oxyethyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine

C30H38N8O — CID 90289503

IUPACN-[5-(cyclohexylmethyl)pyridazin-3-yl]-7-[1-[2-(1-propan-2-ylazetidin-3-yl)oxyethyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine
SMILESCC(C)N1CC(OCCn2cc(-c3cnc4ccc(Nc5cc(CC6CCCCC6)cnn5)nc4c3)cn2)C1
InChIInChI=1S/C30H38N8O/c1-21(2)37-19-26(20-37)39-11-10-38-18-25(17-33-38)24-14-28-27(31-16-24)8-9-29(34-28)35-30-13-23(15-32-36-30)12-22-6-4-3-5-7-22/h8-9,13-18,21-22,26H,3-7,10-12,19-20H2,1-2H3,(H,34,35,36)
InChIKeyLDMCVTJNJFWVLF-UHFFFAOYSA-N
MW526.69 g/mol
LogP5.26
Rot. Bonds10

About N-[5-(cyclohexylmethyl)pyridazin-3-yl]-7-[1-[2-(1-propan-2-ylazetidin-3-yl)oxyethyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine

N-[5-(cyclohexylmethyl)pyridazin-3-yl]-7-[1-[2-(1-propan-2-ylazetidin-3-yl)oxyethyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine (PubChem CID 90289503) has the molecular formula C30H38N8O and a molecular weight of 526.69 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)pyridazin-3-yl]-7-[1-[2-(1-propan-2-ylazetidin-3-yl)oxyethyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)pyridazin-3-yl]-7-[1-[2-(1-propan-2-ylazetidin-3-yl)oxyethyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine
PubChem CID90289503
Molecular FormulaC30H38N8O
Molecular Weight526.69 g/mol
Exact Mass526.32
IUPAC NameN-[5-(cyclohexylmethyl)pyridazin-3-yl]-7-[1-[2-(1-propan-2-ylazetidin-3-yl)oxyethyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine
SMILESCC(C)N1CC(OCCn2cc(-c3cnc4ccc(Nc5cc(CC6CCCCC6)cnn5)nc4c3)cn2)C1
InChIInChI=1S/C30H38N8O/c1-21(2)37-19-26(20-37)39-11-10-38-18-25(17-33-38)24-14-28-27(31-16-24)8-9-29(34-28)35-30-13-23(15-32-36-30)12-22-6-4-3-5-7-22/h8-9,13-18,21-22,26H,3-7,10-12,19-20H2,1-2H3,(H,34,35,36)
InChIKeyLDMCVTJNJFWVLF-UHFFFAOYSA-N
XLogP5.26
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.69
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-(cyclohexylmethyl)pyridazin-3-yl]-7-[1-[2-(1-propan-2-ylazetidin-3-yl)oxyethyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine with MolForge

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Related Compounds

Elimusertib
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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
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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-(3-isopropyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-phenyl]-3-pyridin-4-yl-urea
CID 44188842
1-[4-(3-isopropyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-phenyl]-3-pyridin-3-yl-urea
CID 44188843
1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
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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
1-(2-ethoxyethyl)-3-ethyl-N7-(4-methylpyridin-2-yl)-N5-(piperidin-4-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888595
1-(2-ethoxyethyl)-3-ethyl-N5-methyl-N5-(1-methylpiperidin-4-yl)-N7-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888597
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CID 46888659

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)pyridazin-3-yl]-7-[1-[2-(1-propan-2-ylazetidin-3-yl)oxyethyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine?
The IUPAC name of N-[5-(cyclohexylmethyl)pyridazin-3-yl]-7-[1-[2-(1-propan-2-ylazetidin-3-yl)oxyethyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine (CID 90289503) is N-[5-(cyclohexylmethyl)pyridazin-3-yl]-7-[1-[2-(1-propan-2-ylazetidin-3-yl)oxyethyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine.
What is the SMILES notation for N-[5-(cyclohexylmethyl)pyridazin-3-yl]-7-[1-[2-(1-propan-2-ylazetidin-3-yl)oxyethyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine?
The canonical SMILES for N-[5-(cyclohexylmethyl)pyridazin-3-yl]-7-[1-[2-(1-propan-2-ylazetidin-3-yl)oxyethyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine is CC(C)N1CC(OCCn2cc(-c3cnc4ccc(Nc5cc(CC6CCCCC6)cnn5)nc4c3)cn2)C1.
What is the InChIKey of N-[5-(cyclohexylmethyl)pyridazin-3-yl]-7-[1-[2-(1-propan-2-ylazetidin-3-yl)oxyethyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine?
The InChIKey is LDMCVTJNJFWVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N8O/c1-21(2)37-19-26(20-37)39-11-10-38-18-25(17-33-38)24-14-28-27(31-16-24)8-9-29(34-28)35-30-13-23(15-32-36-30)12-22-6-4-3-5-7-22/h8-9,13-18,21-22,26H,3-7,10-12,19-20H2,1-2H3,(H,34,35,36).
What are the key properties of N-[5-(cyclohexylmethyl)pyridazin-3-yl]-7-[1-[2-(1-propan-2-ylazetidin-3-yl)oxyethyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine?
N-[5-(cyclohexylmethyl)pyridazin-3-yl]-7-[1-[2-(1-propan-2-ylazetidin-3-yl)oxyethyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine has a molecular weight of 526.69 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)pyridazin-3-yl]-7-[1-[2-(1-propan-2-ylazetidin-3-yl)oxyethyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90289503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).