N-[2-(9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

C25H30ClN7O2 — CID 172539875

IUPACN-[2-(9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
SMILESCCn1cc(Cl)c2cc(C(=O)NC3CCc4nc(N5CC(N)C6(CCCO6)C5)ccc4C3)nnc21
InChIInChI=1S/C25H30ClN7O2/c1-2-32-12-18(26)17-11-20(30-31-23(17)32)24(34)28-16-5-6-19-15(10-16)4-7-22(29-19)33-13-21(27)25(14-33)8-3-9-35-25/h4,7,11-12,16,21H,2-3,5-6,8-10,13-14,27H2,1H3,(H,28,34)
InChIKeyIKWYOVSQWTYFFF-UHFFFAOYSA-N
MW496.02 g/mol
LogP2.48
Rot. Bonds4

About N-[2-(9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

N-[2-(9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (PubChem CID 172539875) has the molecular formula C25H30ClN7O2 and a molecular weight of 496.02 g/mol. Its IUPAC name is N-[2-(9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
PubChem CID172539875
Molecular FormulaC25H30ClN7O2
Molecular Weight496.02 g/mol
Exact Mass495.21
IUPAC NameN-[2-(9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
SMILESCCn1cc(Cl)c2cc(C(=O)NC3CCc4nc(N5CC(N)C6(CCCO6)C5)ccc4C3)nnc21
InChIInChI=1S/C25H30ClN7O2/c1-2-32-12-18(26)17-11-20(30-31-23(17)32)24(34)28-16-5-6-19-15(10-16)4-7-22(29-19)33-13-21(27)25(14-33)8-3-9-35-25/h4,7,11-12,16,21H,2-3,5-6,8-10,13-14,27H2,1H3,(H,28,34)
InChIKeyIKWYOVSQWTYFFF-UHFFFAOYSA-N
XLogP2.48
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.02
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-(9-amino-1-oxa-7-azaspiro[4.4]nonan-7-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-(9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?
The IUPAC name of N-[2-(9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (CID 172539875) is N-[2-(9-amino-1-oxa-7-azaspiro[4.4]nonan-7-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-(9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide is CCn1cc(Cl)c2cc(C(=O)NC3CCc4nc(N5CC(N)C6(CCCO6)C5)ccc4C3)nnc21.
What is the InChIKey of N-[2-(9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?
The InChIKey is IKWYOVSQWTYFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN7O2/c1-2-32-12-18(26)17-11-20(30-31-23(17)32)24(34)28-16-5-6-19-15(10-16)4-7-22(29-19)33-13-21(27)25(14-33)8-3-9-35-25/h4,7,11-12,16,21H,2-3,5-6,8-10,13-14,27H2,1H3,(H,28,34).
What are the key properties of N-[2-(9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?
N-[2-(9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide has a molecular weight of 496.02 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 172539875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).