N-[(3R)-7-(9,9-difluoro-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

C26H30F2N6O2 — CID 167224768

IUPACN-[(3R)-7-(9,9-difluoro-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
SMILESCCn1ccc2cc(C(=O)N[C@H]3COc4cc(N5CC6CN(C)CC(C5)C6(F)F)ccc4C3)nnc21
InChIInChI=1S/C26H30F2N6O2/c1-3-33-7-6-17-9-22(30-31-24(17)33)25(35)29-20-8-16-4-5-21(10-23(16)36-15-20)34-13-18-11-32(2)12-19(14-34)26(18,27)28/h4-7,9-10,18-20H,3,8,11-15H2,1-2H3,(H,29,35)/t18?,19?,20-/m1/s1
InChIKeyQSPSQNROHGTQEO-SOAGJPPSSA-N
MW496.56 g/mol
LogP2.82
Rot. Bonds4

About N-[(3R)-7-(9,9-difluoro-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

N-[(3R)-7-(9,9-difluoro-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (PubChem CID 167224768) has the molecular formula C26H30F2N6O2 and a molecular weight of 496.56 g/mol. Its IUPAC name is N-[(3R)-7-(9,9-difluoro-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-7-(9,9-difluoro-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
PubChem CID167224768
Molecular FormulaC26H30F2N6O2
Molecular Weight496.56 g/mol
Exact Mass496.24
IUPAC NameN-[(3R)-7-(9,9-difluoro-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
SMILESCCn1ccc2cc(C(=O)N[C@H]3COc4cc(N5CC6CN(C)CC(C5)C6(F)F)ccc4C3)nnc21
InChIInChI=1S/C26H30F2N6O2/c1-3-33-7-6-17-9-22(30-31-24(17)33)25(35)29-20-8-16-4-5-21(10-23(16)36-15-20)34-13-18-11-32(2)12-19(14-34)26(18,27)28/h4-7,9-10,18-20H,3,8,11-15H2,1-2H3,(H,29,35)/t18?,19?,20-/m1/s1
InChIKeyQSPSQNROHGTQEO-SOAGJPPSSA-N
XLogP2.82
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R)-7-(9,9-difluoro-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
CID 167673386
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 137489588
3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 166493063
tert-butyl 7-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 137480429
N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 167224778
3-amino-N-[(3R)-7-[(3R,4S)-3-ethyl-4-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167609536
3-amino-N-[(3R)-7-[(3S,4R)-3-ethyl-4-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167609535
3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide
CID 172540507
3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-fluorothieno[2,3-b]pyridine-2-carboxamide
CID 137488609
3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137488714
(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide
CID 167600228
3-amino-N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167224719

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-7-(9,9-difluoro-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?
The IUPAC name of N-[(3R)-7-(9,9-difluoro-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (CID 167224768) is N-[(3R)-7-(9,9-difluoro-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3R)-7-(9,9-difluoro-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?
The canonical SMILES for N-[(3R)-7-(9,9-difluoro-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide is CCn1ccc2cc(C(=O)N[C@H]3COc4cc(N5CC6CN(C)CC(C5)C6(F)F)ccc4C3)nnc21.
What is the InChIKey of N-[(3R)-7-(9,9-difluoro-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?
The InChIKey is QSPSQNROHGTQEO-SOAGJPPSSA-N. The full InChI is InChI=1S/C26H30F2N6O2/c1-3-33-7-6-17-9-22(30-31-24(17)33)25(35)29-20-8-16-4-5-21(10-23(16)36-15-20)34-13-18-11-32(2)12-19(14-34)26(18,27)28/h4-7,9-10,18-20H,3,8,11-15H2,1-2H3,(H,29,35)/t18?,19?,20-/m1/s1.
What are the key properties of N-[(3R)-7-(9,9-difluoro-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?
N-[(3R)-7-(9,9-difluoro-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide has a molecular weight of 496.56 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-7-(9,9-difluoro-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 167224768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).