N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

C25H32ClN7O2 — CID 172540424

IUPACN-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
SMILESCCOCC1CN(c2ccc3c(n2)CCC(NC(=O)c2cc4c(Cl)cn(CC)c4nn2)C3)CC1N
InChIInChI=1S/C25H32ClN7O2/c1-3-32-12-19(26)18-10-22(30-31-24(18)32)25(34)28-17-6-7-21-15(9-17)5-8-23(29-21)33-11-16(14-35-4-2)20(27)13-33/h5,8,10,12,16-17,20H,3-4,6-7,9,11,13-14,27H2,1-2H3,(H,28,34)
InChIKeyYYDVEPJCWBCYLR-UHFFFAOYSA-N
MW498.03 g/mol
LogP2.59
Rot. Bonds7

About N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (PubChem CID 172540424) has the molecular formula C25H32ClN7O2 and a molecular weight of 498.03 g/mol. Its IUPAC name is N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
PubChem CID172540424
Molecular FormulaC25H32ClN7O2
Molecular Weight498.03 g/mol
Exact Mass497.23
IUPAC NameN-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
SMILESCCOCC1CN(c2ccc3c(n2)CCC(NC(=O)c2cc4c(Cl)cn(CC)c4nn2)C3)CC1N
InChIInChI=1S/C25H32ClN7O2/c1-3-32-12-19(26)18-10-22(30-31-24(18)32)25(34)28-17-6-7-21-15(9-17)5-8-23(29-21)33-11-16(14-35-4-2)20(27)13-33/h5,8,10,12,16-17,20H,3-4,6-7,9,11,13-14,27H2,1-2H3,(H,28,34)
InChIKeyYYDVEPJCWBCYLR-UHFFFAOYSA-N
XLogP2.59
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.03
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?
The IUPAC name of N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (CID 172540424) is N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?
The canonical SMILES for N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide is CCOCC1CN(c2ccc3c(n2)CCC(NC(=O)c2cc4c(Cl)cn(CC)c4nn2)C3)CC1N.
What is the InChIKey of N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?
The InChIKey is YYDVEPJCWBCYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN7O2/c1-3-32-12-19(26)18-10-22(30-31-24(18)32)25(34)28-17-6-7-21-15(9-17)5-8-23(29-21)33-11-16(14-35-4-2)20(27)13-33/h5,8,10,12,16-17,20H,3-4,6-7,9,11,13-14,27H2,1-2H3,(H,28,34).
What are the key properties of N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?
N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide has a molecular weight of 498.03 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 172540424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).