3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2-hydroxypropan-2-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide

C26H24F2N4O3 — CID 162494377

IUPAC3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2-hydroxypropan-2-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide
SMILESCc1nc2c(C(C)(C)O)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1-c1cc(F)cc(F)c1
InChIInChI=1S/C26H24F2N4O3/c1-14-23(15-10-16(27)12-17(28)11-15)32-24(30-14)22(26(2,3)34)19(13-29-32)25(33)31-20-8-9-35-21-7-5-4-6-18(20)21/h4-7,10-13,20,34H,8-9H2,1-3H3,(H,31,33)/t20-/m0/s1
InChIKeyVGNZXDFNUDGLRK-FQEVSTJZSA-N
MW478.50 g/mol
LogP4.46
Rot. Bonds4

About 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2-hydroxypropan-2-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide

3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2-hydroxypropan-2-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 162494377) has the molecular formula C26H24F2N4O3 and a molecular weight of 478.50 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2-hydroxypropan-2-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2-hydroxypropan-2-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide
PubChem CID162494377
Molecular FormulaC26H24F2N4O3
Molecular Weight478.50 g/mol
Exact Mass478.18
IUPAC Name3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2-hydroxypropan-2-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide
SMILESCc1nc2c(C(C)(C)O)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1-c1cc(F)cc(F)c1
InChIInChI=1S/C26H24F2N4O3/c1-14-23(15-10-16(27)12-17(28)11-15)32-24(30-14)22(26(2,3)34)19(13-29-32)25(33)31-20-8-9-35-21-7-5-4-6-18(20)21/h4-7,10-13,20,34H,8-9H2,1-3H3,(H,31,33)/t20-/m0/s1
InChIKeyVGNZXDFNUDGLRK-FQEVSTJZSA-N
XLogP4.46
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2-hydroxypropan-2-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide?
The IUPAC name of 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2-hydroxypropan-2-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide (CID 162494377) is 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2-hydroxypropan-2-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide.
What is the SMILES notation for 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2-hydroxypropan-2-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide?
The canonical SMILES for 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2-hydroxypropan-2-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide is Cc1nc2c(C(C)(C)O)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1-c1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2-hydroxypropan-2-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide?
The InChIKey is VGNZXDFNUDGLRK-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H24F2N4O3/c1-14-23(15-10-16(27)12-17(28)11-15)32-24(30-14)22(26(2,3)34)19(13-29-32)25(33)31-20-8-9-35-21-7-5-4-6-18(20)21/h4-7,10-13,20,34H,8-9H2,1-3H3,(H,31,33)/t20-/m0/s1.
What are the key properties of 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2-hydroxypropan-2-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide?
3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2-hydroxypropan-2-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 478.50 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2-hydroxypropan-2-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 162494377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).